(2S)-N-cyclopentyl-4-methyl-2-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]pentanamide

C21H37N5O — CID 44528047

IUPAC(2S)-N-cyclopentyl-4-methyl-2-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]pentanamide
SMILESCCCC(C)Nc1nc(C)cc(N[C@@H](CC(C)C)C(=O)NC2CCCC2)n1
InChIInChI=1S/C21H37N5O/c1-6-9-15(4)22-21-23-16(5)13-19(26-21)25-18(12-14(2)3)20(27)24-17-10-7-8-11-17/h13-15,17-18H,6-12H2,1-5H3,(H,24,27)(H2,22,23,25,26)/t15?,18-/m0/s1
InChIKeyIWKCNHLLBOGTRX-PKHIMPSTSA-N
MW375.56 g/mol
LogP4.27
Rot. Bonds10

About (2S)-N-cyclopentyl-4-methyl-2-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]pentanamide

(2S)-N-cyclopentyl-4-methyl-2-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]pentanamide (PubChem CID 44528047) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-4-methyl-2-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]pentanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-4-methyl-2-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]pentanamide
PubChem CID44528047
Molecular FormulaC21H37N5O
Molecular Weight375.56 g/mol
Exact Mass375.30
IUPAC Name(2S)-N-cyclopentyl-4-methyl-2-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]pentanamide
SMILESCCCC(C)Nc1nc(C)cc(N[C@@H](CC(C)C)C(=O)NC2CCCC2)n1
InChIInChI=1S/C21H37N5O/c1-6-9-15(4)22-21-23-16(5)13-19(26-21)25-18(12-14(2)3)20(27)24-17-10-7-8-11-17/h13-15,17-18H,6-12H2,1-5H3,(H,24,27)(H2,22,23,25,26)/t15?,18-/m0/s1
InChIKeyIWKCNHLLBOGTRX-PKHIMPSTSA-N
XLogP4.27
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-4-methyl-2-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]pentanamide?
The IUPAC name of (2S)-N-cyclopentyl-4-methyl-2-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]pentanamide (CID 44528047) is (2S)-N-cyclopentyl-4-methyl-2-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]pentanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-4-methyl-2-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]pentanamide?
The canonical SMILES for (2S)-N-cyclopentyl-4-methyl-2-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]pentanamide is CCCC(C)Nc1nc(C)cc(N[C@@H](CC(C)C)C(=O)NC2CCCC2)n1.
What is the InChIKey of (2S)-N-cyclopentyl-4-methyl-2-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]pentanamide?
The InChIKey is IWKCNHLLBOGTRX-PKHIMPSTSA-N. The full InChI is InChI=1S/C21H37N5O/c1-6-9-15(4)22-21-23-16(5)13-19(26-21)25-18(12-14(2)3)20(27)24-17-10-7-8-11-17/h13-15,17-18H,6-12H2,1-5H3,(H,24,27)(H2,22,23,25,26)/t15?,18-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-4-methyl-2-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]pentanamide?
(2S)-N-cyclopentyl-4-methyl-2-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]pentanamide has a molecular weight of 375.56 g/mol, XLogP of 4.27, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-4-methyl-2-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]pentanamide is sourced from PubChem (CID 44528047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).