(2S)-N-(cyanomethyl)-4-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pentanamide

C16H24N6O2 — CID 10449442

IUPAC(2S)-N-(cyanomethyl)-4-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pentanamide
SMILESCC(C)C[C@H](Nc1ccnc(N2CCOCC2)n1)C(=O)NCC#N
InChIInChI=1S/C16H24N6O2/c1-12(2)11-13(15(23)18-6-4-17)20-14-3-5-19-16(21-14)22-7-9-24-10-8-22/h3,5,12-13H,6-11H2,1-2H3,(H,18,23)(H,19,20,21)/t13-/m0/s1
InChIKeyCYTFRQLBIBUYOW-ZDUSSCGKSA-N
MW332.41 g/mol
LogP0.78
Rot. Bonds7

About (2S)-N-(cyanomethyl)-4-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pentanamide

(2S)-N-(cyanomethyl)-4-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pentanamide (PubChem CID 10449442) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is (2S)-N-(cyanomethyl)-4-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pentanamide.

Molecular Properties

Compound Name(2S)-N-(cyanomethyl)-4-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pentanamide
PubChem CID10449442
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name(2S)-N-(cyanomethyl)-4-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pentanamide
SMILESCC(C)C[C@H](Nc1ccnc(N2CCOCC2)n1)C(=O)NCC#N
InChIInChI=1S/C16H24N6O2/c1-12(2)11-13(15(23)18-6-4-17)20-14-3-5-19-16(21-14)22-7-9-24-10-8-22/h3,5,12-13H,6-11H2,1-2H3,(H,18,23)(H,19,20,21)/t13-/m0/s1
InChIKeyCYTFRQLBIBUYOW-ZDUSSCGKSA-N
XLogP0.78
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(cyanomethyl)-4-methyl-2-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]amino]pentanamide
CID 10452450
2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid
CID 83897522
2-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]butanamide
CID 122353332
4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 122048301
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
N'-(2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 121204896
2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 117079763
2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
CID 698340
2-morpholin-4-yl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112886621
N-(cyanomethyl)-4-methyl-2-[[3-(4-piperazin-1-ylphenyl)-1,2-oxazol-4-yl]amino]pentanamide
CID 22235795
N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 112886594
N-(cyanomethyl)-4-methyl-2-[[5-methyl-4-(4-piperazin-1-ylphenyl)-1,2-oxazol-3-yl]amino]pentanamide
CID 22235772

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyanomethyl)-4-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pentanamide?
The IUPAC name of (2S)-N-(cyanomethyl)-4-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pentanamide (CID 10449442) is (2S)-N-(cyanomethyl)-4-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pentanamide.
What is the SMILES notation for (2S)-N-(cyanomethyl)-4-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pentanamide?
The canonical SMILES for (2S)-N-(cyanomethyl)-4-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pentanamide is CC(C)C[C@H](Nc1ccnc(N2CCOCC2)n1)C(=O)NCC#N.
What is the InChIKey of (2S)-N-(cyanomethyl)-4-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pentanamide?
The InChIKey is CYTFRQLBIBUYOW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-12(2)11-13(15(23)18-6-4-17)20-14-3-5-19-16(21-14)22-7-9-24-10-8-22/h3,5,12-13H,6-11H2,1-2H3,(H,18,23)(H,19,20,21)/t13-/m0/s1.
What are the key properties of (2S)-N-(cyanomethyl)-4-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pentanamide?
(2S)-N-(cyanomethyl)-4-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pentanamide has a molecular weight of 332.41 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyanomethyl)-4-methyl-2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pentanamide is sourced from PubChem (CID 10449442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).