4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol

C12H16N4O — CID 170573052

IUPAC4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol
SMILESOC1CCC(Nc2ncc3[nH]ccc3n2)CC1
InChIInChI=1S/C12H16N4O/c17-9-3-1-8(2-4-9)15-12-14-7-11-10(16-12)5-6-13-11/h5-9,13,17H,1-4H2,(H,14,15,16)
InChIKeyWIDFVSRGSDDILX-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.67
Rot. Bonds2

About 4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol

4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol (PubChem CID 170573052) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol
PubChem CID170573052
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol
SMILESOC1CCC(Nc2ncc3[nH]ccc3n2)CC1
InChIInChI=1S/C12H16N4O/c17-9-3-1-8(2-4-9)15-12-14-7-11-10(16-12)5-6-13-11/h5-9,13,17H,1-4H2,(H,14,15,16)
InChIKeyWIDFVSRGSDDILX-UHFFFAOYSA-N
XLogP1.67
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol with MolForge

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Related Compounds

4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol
CID 58082649
4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol
CID 58829507
4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol
CID 58082320
2-[(4-hydroxycyclohexyl)amino]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide
CID 58082378
2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide
CID 58082291
4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
CID 167021737
4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol
CID 24877307
4-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-ol
CID 19709147
2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 54005564
2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide
CID 58082242
2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146892
4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol
CID 134148336

Frequently Asked Questions

What is the IUPAC name of 4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol (CID 170573052) is 4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol is OC1CCC(Nc2ncc3[nH]ccc3n2)CC1.
What is the InChIKey of 4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol?
The InChIKey is WIDFVSRGSDDILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-9-3-1-8(2-4-9)15-12-14-7-11-10(16-12)5-6-13-11/h5-9,13,17H,1-4H2,(H,14,15,16).
What are the key properties of 4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol?
4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol has a molecular weight of 232.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 170573052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).