(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol

C13H19N5O — CID 122585004

IUPAC(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCCC[C@](C)(CO)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C13H19N5O/c1-3-6-13(2,8-19)18-11-10-9(5-4-7-15-10)16-12(14)17-11/h4-5,7,19H,3,6,8H2,1-2H3,(H3,14,16,17,18)/t13-/m1/s1
InChIKeyDWWHPHBWOURHEZ-CYBMUJFWSA-N
MW261.33 g/mol
LogP1.57
Rot. Bonds5

About (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol

(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol (PubChem CID 122585004) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol
PubChem CID122585004
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCCC[C@](C)(CO)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C13H19N5O/c1-3-6-13(2,8-19)18-11-10-9(5-4-7-15-10)16-12(14)17-11/h4-5,7,19H,3,6,8H2,1-2H3,(H3,14,16,17,18)/t13-/m1/s1
InChIKeyDWWHPHBWOURHEZ-CYBMUJFWSA-N
XLogP1.57
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The IUPAC name of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol (CID 122585004) is (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The canonical SMILES for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol is CCC[C@](C)(CO)Nc1nc(N)nc2cccnc12.
What is the InChIKey of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The InChIKey is DWWHPHBWOURHEZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-6-13(2,8-19)18-11-10-9(5-4-7-15-10)16-12(14)17-11/h4-5,7,19H,3,6,8H2,1-2H3,(H3,14,16,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol?
(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol has a molecular weight of 261.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 122585004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).