N-[(2S)-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-inden-2-yl]formamide

C14H14N4O — CID 130292824

IUPACN-[(2S)-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-inden-2-yl]formamide
SMILESO=CN[C@H]1Cc2ccccc2C1Nc1ncccn1
InChIInChI=1S/C14H14N4O/c19-9-17-12-8-10-4-1-2-5-11(10)13(12)18-14-15-6-3-7-16-14/h1-7,9,12-13H,8H2,(H,17,19)(H,15,16,18)/t12-,13?/m0/s1
InChIKeyCASMPCCIGGZPNI-UEWDXFNNSA-N
MW254.29 g/mol
LogP1.30
Rot. Bonds4

About N-[(2S)-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-inden-2-yl]formamide

N-[(2S)-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-inden-2-yl]formamide (PubChem CID 130292824) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(2S)-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-inden-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-inden-2-yl]formamide
PubChem CID130292824
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-[(2S)-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-inden-2-yl]formamide
SMILESO=CN[C@H]1Cc2ccccc2C1Nc1ncccn1
InChIInChI=1S/C14H14N4O/c19-9-17-12-8-10-4-1-2-5-11(10)13(12)18-14-15-6-3-7-16-14/h1-7,9,12-13H,8H2,(H,17,19)(H,15,16,18)/t12-,13?/m0/s1
InChIKeyCASMPCCIGGZPNI-UEWDXFNNSA-N
XLogP1.30
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide
CID 134337122
1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid
CID 87579467
4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine
CID 133309901
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine
CID 115975685
N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine
CID 125132573
N-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine
CID 121184377
(1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 138027257
(1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 162630957
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
(1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine
CID 138027256
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 133447996
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-inden-2-yl]formamide?
The IUPAC name of N-[(2S)-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-inden-2-yl]formamide (CID 130292824) is N-[(2S)-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-inden-2-yl]formamide.
What is the SMILES notation for N-[(2S)-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-inden-2-yl]formamide?
The canonical SMILES for N-[(2S)-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-inden-2-yl]formamide is O=CN[C@H]1Cc2ccccc2C1Nc1ncccn1.
What is the InChIKey of N-[(2S)-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-inden-2-yl]formamide?
The InChIKey is CASMPCCIGGZPNI-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H14N4O/c19-9-17-12-8-10-4-1-2-5-11(10)13(12)18-14-15-6-3-7-16-14/h1-7,9,12-13H,8H2,(H,17,19)(H,15,16,18)/t12-,13?/m0/s1.
What are the key properties of N-[(2S)-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-inden-2-yl]formamide?
N-[(2S)-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-inden-2-yl]formamide has a molecular weight of 254.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-inden-2-yl]formamide is sourced from PubChem (CID 130292824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).