(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol

C15H23N5O — CID 142534438

IUPAC(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
SMILESCCCC[C@](C)(CO)Nc1nc(N)nc2cc(C)cnc12
InChIInChI=1S/C15H23N5O/c1-4-5-6-15(3,9-21)20-13-12-11(18-14(16)19-13)7-10(2)8-17-12/h7-8,21H,4-6,9H2,1-3H3,(H3,16,18,19,20)/t15-/m1/s1
InChIKeyMXNGCMNNCJYGEZ-OAHLLOKOSA-N
MW289.38 g/mol
LogP2.27
Rot. Bonds6

About (2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol

(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol (PubChem CID 142534438) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
PubChem CID142534438
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
SMILESCCCC[C@](C)(CO)Nc1nc(N)nc2cc(C)cnc12
InChIInChI=1S/C15H23N5O/c1-4-5-6-15(3,9-21)20-13-12-11(18-14(16)19-13)7-10(2)8-17-12/h7-8,21H,4-6,9H2,1-3H3,(H3,16,18,19,20)/t15-/m1/s1
InChIKeyMXNGCMNNCJYGEZ-OAHLLOKOSA-N
XLogP2.27
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol with MolForge

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Related Compounds

Selgantolimod
CID 122585383
Fadraciclib
CID 24983461
1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
CID 10803
4-[(3-Bromophenyl)amino]-6-[(2-hydroxyethyl)amino]-pyrido[3,4-d]pyrimidine
CID 5328350
4-[(3-Bromophenyl)amino]-6-[N-(2-hydroxyethyl)-N-methylamino]pyrido[3,4-d]pyrimidine
CID 5328351
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328264
N-benzylpyrido[3,2-d]pyrimidin-4-amine
CID 5328272
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6b
CID 5328345
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6c
CID 5328346

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol?
The IUPAC name of (2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol (CID 142534438) is (2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol.
What is the SMILES notation for (2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol?
The canonical SMILES for (2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol is CCCC[C@](C)(CO)Nc1nc(N)nc2cc(C)cnc12.
What is the InChIKey of (2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol?
The InChIKey is MXNGCMNNCJYGEZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-5-6-15(3,9-21)20-13-12-11(18-14(16)19-13)7-10(2)8-17-12/h7-8,21H,4-6,9H2,1-3H3,(H3,16,18,19,20)/t15-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol?
(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol has a molecular weight of 289.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol is sourced from PubChem (CID 142534438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).