(2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol

C15H21N5O — CID 159876464

IUPAC(2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol
SMILESCCCCC(/C=N/c1nc(N)nc2cccnc12)[C@H](C)O
InChIInChI=1S/C15H21N5O/c1-3-4-6-11(10(2)21)9-18-14-13-12(7-5-8-17-13)19-15(16)20-14/h5,7-11,21H,3-4,6H2,1-2H3,(H2,16,19,20)/b18-9+/t10-,11?/m0/s1
InChIKeyNSYVDMUUIKDZCK-BPWBTACQSA-N
MW287.37 g/mol
LogP2.50
Rot. Bonds6

About (2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol

(2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol (PubChem CID 159876464) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol.

Molecular Properties

Compound Name(2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol
PubChem CID159876464
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol
SMILESCCCCC(/C=N/c1nc(N)nc2cccnc12)[C@H](C)O
InChIInChI=1S/C15H21N5O/c1-3-4-6-11(10(2)21)9-18-14-13-12(7-5-8-17-13)19-15(16)20-14/h5,7-11,21H,3-4,6H2,1-2H3,(H2,16,19,20)/b18-9+/t10-,11?/m0/s1
InChIKeyNSYVDMUUIKDZCK-BPWBTACQSA-N
XLogP2.50
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol with MolForge

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Related Compounds

3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol
CID 122585253
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide
CID 122585199
(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one
CID 158309204
2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol
CID 145149430
4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598680
(2R,3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol
CID 122585001
(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 122584989
2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline
CID 139174663
N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 122599112
4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598693
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptyl]acetamide
CID 122585361
7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine
CID 106022412

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol?
The IUPAC name of (2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol (CID 159876464) is (2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol.
What is the SMILES notation for (2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol?
The canonical SMILES for (2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol is CCCCC(/C=N/c1nc(N)nc2cccnc12)[C@H](C)O.
What is the InChIKey of (2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol?
The InChIKey is NSYVDMUUIKDZCK-BPWBTACQSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-4-6-11(10(2)21)9-18-14-13-12(7-5-8-17-13)19-15(16)20-14/h5,7-11,21H,3-4,6H2,1-2H3,(H2,16,19,20)/b18-9+/t10-,11?/m0/s1.
What are the key properties of (2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol?
(2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol has a molecular weight of 287.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol is sourced from PubChem (CID 159876464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).