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

C14H20ClN5O — CID 122585121

IUPAC(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
SMILESCCCC[C@](C)(CO)Nc1nc(N)nc2cc(Cl)cnc12
InChIInChI=1S/C14H20ClN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m1/s1
InChIKeyQKMYHDMZQKIQAL-CQSZACIVSA-N
MW309.80 g/mol
LogP2.61
Rot. Bonds6

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

(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol (PubChem CID 122585121) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
PubChem CID122585121
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
SMILESCCCC[C@](C)(CO)Nc1nc(N)nc2cc(Cl)cnc12
InChIInChI=1S/C14H20ClN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m1/s1
InChIKeyQKMYHDMZQKIQAL-CQSZACIVSA-N
XLogP2.61
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

Selgantolimod
CID 122585383
Pyrazine-Pyridine Biheteroaryl 38
CID 5330368
(R)-2-((2-amino-7-fluoropyrido(3,2-d)pyrimidin-4-yl)amino)-2-methylhexan-1-ol
CID 122585078
Pyrazine-Pyridine deriv. 8
CID 5330397
3-{6-[4-(3-Chloro-phenylamino)-[1,3,5]triazin-2-yl]-pyrazin-2-ylamino}-propan-1-ol
CID 9975630
(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122585054
(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122585158
(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
CID 122585365
(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122598684
(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol
CID 122598756
(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
CID 142534438
3-[[4-[6-(3-Chloroanilino)-4-pyrimidinyl]-2-pyrimidinyl]amino]-1-propanol
CID 16746083

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol?
The IUPAC name of (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol (CID 122585121) is (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol.
What is the SMILES notation for (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol?
The canonical SMILES for (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol is CCCC[C@](C)(CO)Nc1nc(N)nc2cc(Cl)cnc12.
What is the InChIKey of (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol?
The InChIKey is QKMYHDMZQKIQAL-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol?
(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol has a molecular weight of 309.80 g/mol, XLogP of 2.61, 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-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol is sourced from PubChem (CID 122585121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).