(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide

C16H24N6O2 — CID 122584989

IUPAC(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide
SMILESCCC[C@H](Nc1nc(N)nc2cccnc12)C(=O)NCC(C)(C)O
InChIInChI=1S/C16H24N6O2/c1-4-6-11(14(23)19-9-16(2,3)24)20-13-12-10(7-5-8-18-12)21-15(17)22-13/h5,7-8,11,24H,4,6,9H2,1-3H3,(H,19,23)(H3,17,20,21,22)/t11-/m0/s1
InChIKeyJTPANOKOYNGMME-NSHDSACASA-N
MW332.41 g/mol
LogP1.07
Rot. Bonds7

About (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide

(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide (PubChem CID 122584989) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide
PubChem CID122584989
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide
SMILESCCC[C@H](Nc1nc(N)nc2cccnc12)C(=O)NCC(C)(C)O
InChIInChI=1S/C16H24N6O2/c1-4-6-11(14(23)19-9-16(2,3)24)20-13-12-10(7-5-8-18-12)21-15(17)22-13/h5,7-8,11,24H,4,6,9H2,1-3H3,(H,19,23)(H3,17,20,21,22)/t11-/m0/s1
InChIKeyJTPANOKOYNGMME-NSHDSACASA-N
XLogP1.07
TPSA126.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide?
The IUPAC name of (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide (CID 122584989) is (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide.
What is the SMILES notation for (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide?
The canonical SMILES for (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide is CCC[C@H](Nc1nc(N)nc2cccnc12)C(=O)NCC(C)(C)O.
What is the InChIKey of (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide?
The InChIKey is JTPANOKOYNGMME-NSHDSACASA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-6-11(14(23)19-9-16(2,3)24)20-13-12-10(7-5-8-18-12)21-15(17)22-13/h5,7-8,11,24H,4,6,9H2,1-3H3,(H,19,23)(H3,17,20,21,22)/t11-/m0/s1.
What are the key properties of (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide?
(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide has a molecular weight of 332.41 g/mol, XLogP of 1.07, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide is sourced from PubChem (CID 122584989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).