trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol

C13H17N5O — CID 133495393

IUPACtrans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESNc1ccc2c(N[C@H]3CCCC[C@@H]3O)ncnc2n1
InChIInChI=1S/C13H17N5O/c14-11-6-5-8-12(15-7-16-13(8)18-11)17-9-3-1-2-4-10(9)19/h5-7,9-10,19H,1-4H2,(H3,14,15,16,17,18)/t9-,10-/m0/s1
InChIKeyQOKOYFKYNUGGLD-UWVGGRQHSA-N
MW259.31 g/mol
LogP1.32
Rot. Bonds2

About trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 133495393) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID133495393
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Nametrans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESNc1ccc2c(N[C@H]3CCCC[C@@H]3O)ncnc2n1
InChIInChI=1S/C13H17N5O/c14-11-6-5-8-12(15-7-16-13(8)18-11)17-9-3-1-2-4-10(9)19/h5-7,9-10,19H,1-4H2,(H3,14,15,16,17,18)/t9-,10-/m0/s1
InChIKeyQOKOYFKYNUGGLD-UWVGGRQHSA-N
XLogP1.32
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407209
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 91646510
4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 154801658
2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol
CID 80827019
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919271
[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone
CID 133408843
4-N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133435709
2-[(2-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 80827366
4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407759
2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 105369367
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 133282185

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (CID 133495393) is trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is Nc1ccc2c(N[C@H]3CCCC[C@@H]3O)ncnc2n1.
What is the InChIKey of trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is QOKOYFKYNUGGLD-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H17N5O/c14-11-6-5-8-12(15-7-16-13(8)18-11)17-9-3-1-2-4-10(9)19/h5-7,9-10,19H,1-4H2,(H3,14,15,16,17,18)/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 259.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 133495393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).