cyclopentane;2-(1,1-difluoropropyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen

C20H36F2N6O2 — CID 168894925

IUPACcyclopentane;2-(1,1-difluoropropyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen
SMILESC1CCCC1.CC1(NC(=O)O)CC1.CCC(F)(F)c1nccc(Nc2ccn[nH]2)n1.[H][H].[H][H].[H][H]
InChIInChI=1S/C10H11F2N5.C5H9NO2.C5H10.3H2/c1-2-10(11,12)9-13-5-3-7(16-9)15-8-4-6-14-17-8;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1;;;/h3-6H,2H2,1H3,(H2,13,14,15,16,17);6H,2-3H2,1H3,(H,7,8);1-5H2;3*1H
InChIKeyGNTAHBRKGNJDNA-UHFFFAOYSA-N
MW430.54 g/mol
LogP5.94
Rot. Bonds5

About cyclopentane;2-(1,1-difluoropropyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen

cyclopentane;2-(1,1-difluoropropyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen (PubChem CID 168894925) has the molecular formula C20H36F2N6O2 and a molecular weight of 430.54 g/mol. Its IUPAC name is cyclopentane;2-(1,1-difluoropropyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen.

Molecular Properties

Compound Namecyclopentane;2-(1,1-difluoropropyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen
PubChem CID168894925
Molecular FormulaC20H36F2N6O2
Molecular Weight430.54 g/mol
Exact Mass430.29
IUPAC Namecyclopentane;2-(1,1-difluoropropyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen
SMILESC1CCCC1.CC1(NC(=O)O)CC1.CCC(F)(F)c1nccc(Nc2ccn[nH]2)n1.[H][H].[H][H].[H][H]
InChIInChI=1S/C10H11F2N5.C5H9NO2.C5H10.3H2/c1-2-10(11,12)9-13-5-3-7(16-9)15-8-4-6-14-17-8;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1;;;/h3-6H,2H2,1H3,(H2,13,14,15,16,17);6H,2-3H2,1H3,(H,7,8);1-5H2;3*1H
InChIKeyGNTAHBRKGNJDNA-UHFFFAOYSA-N
XLogP5.94
TPSA115.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.54
LogP ≤ 55.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide
CID 169142898
cyclopentane;(1-methylcyclopropyl)carbamic acid;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 169141869
3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane
CID 169141362
3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane
CID 164879720
fluorocyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine
CID 169143581
(1-methylcyclopropyl)carbamic acid;oxolane;1-oxo-N-(1H-pyrazol-5-yl)-3,4-dihydroisochromene-3-carboxamide
CID 169143558
4-(1H-pyrazol-5-ylamino)-1,3-oxazole-2-carboxylic acid
CID 172765578
cyclopropane;2-N-[1-(1H-indol-5-yl)ethyl]-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 144535863
[1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid
CID 155045808
butanoic acid;cyclopentane;N-(3-ethyl-2-fluorobenzene-4-id-1-yl)-1H-pyrazol-5-amine;2-methylpropane;rubidium(1+);sulfanide
CID 176714724
ethyl 4-[[6-[(2-tert-butylpyrazol-3-yl)amino]-2-pyridinyl]methyl]-1-(3-chloro-2-fluorobenzoyl)piperidine-4-carboxylate;ethyl 1-(3-chloro-2-fluorobenzoyl)-4-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate
CID 159813523
[(3S)-1-[4-methyl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]pyrrolidin-3-yl]-[(2S)-1,1,1-trifluoropropan-2-yl]carbamic acid
CID 66708874

Frequently Asked Questions

What is the IUPAC name of cyclopentane;2-(1,1-difluoropropyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen?
The IUPAC name of cyclopentane;2-(1,1-difluoropropyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen (CID 168894925) is cyclopentane;2-(1,1-difluoropropyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen.
What is the SMILES notation for cyclopentane;2-(1,1-difluoropropyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen?
The canonical SMILES for cyclopentane;2-(1,1-difluoropropyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen is C1CCCC1.CC1(NC(=O)O)CC1.CCC(F)(F)c1nccc(Nc2ccn[nH]2)n1.[H][H].[H][H].[H][H].
What is the InChIKey of cyclopentane;2-(1,1-difluoropropyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen?
The InChIKey is GNTAHBRKGNJDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5.C5H9NO2.C5H10.3H2/c1-2-10(11,12)9-13-5-3-7(16-9)15-8-4-6-14-17-8;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1;;;/h3-6H,2H2,1H3,(H2,13,14,15,16,17);6H,2-3H2,1H3,(H,7,8);1-5H2;3*1H.
What are the key properties of cyclopentane;2-(1,1-difluoropropyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen?
cyclopentane;2-(1,1-difluoropropyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen has a molecular weight of 430.54 g/mol, XLogP of 5.94, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;2-(1,1-difluoropropyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen is sourced from PubChem (CID 168894925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).