4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine

C10H10F2N6 — CID 162157584

IUPAC4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2cc([C@@H]3CC3(F)F)[nH]n2)n1
InChIInChI=1S/C10H10F2N6/c11-10(12)4-5(10)6-3-8(18-17-6)15-7-1-2-14-9(13)16-7/h1-3,5H,4H2,(H4,13,14,15,16,17,18)/t5-/m0/s1
InChIKeyNVNWGBVEHHHNOU-YFKPBYRVSA-N
MW252.23 g/mol
LogP1.65
Rot. Bonds3

About 4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine

4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine (PubChem CID 162157584) has the molecular formula C10H10F2N6 and a molecular weight of 252.23 g/mol. Its IUPAC name is 4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
PubChem CID162157584
Molecular FormulaC10H10F2N6
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2cc([C@@H]3CC3(F)F)[nH]n2)n1
InChIInChI=1S/C10H10F2N6/c11-10(12)4-5(10)6-3-8(18-17-6)15-7-1-2-14-9(13)16-7/h1-3,5H,4H2,(H4,13,14,15,16,17,18)/t5-/m0/s1
InChIKeyNVNWGBVEHHHNOU-YFKPBYRVSA-N
XLogP1.65
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane
CID 154687421
2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane
CID 154687300
2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169170320
4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine
CID 107531781
1-[3-[3-[(2-aminopyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl]-3-(3-cyanophenyl)-1-cyclohexylthiourea
CID 154687303
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;ethane;methylcyclohexane
CID 154687415
2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 71058238
2-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 176763076
2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169170191
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 170132228
4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 72708993
4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine
CID 59024384

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine (CID 162157584) is 4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine is Nc1nccc(Nc2cc([C@@H]3CC3(F)F)[nH]n2)n1.
What is the InChIKey of 4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine?
The InChIKey is NVNWGBVEHHHNOU-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H10F2N6/c11-10(12)4-5(10)6-3-8(18-17-6)15-7-1-2-14-9(13)16-7/h1-3,5H,4H2,(H4,13,14,15,16,17,18)/t5-/m0/s1.
What are the key properties of 4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine?
4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine has a molecular weight of 252.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 162157584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).