6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine

C17H26N6O — CID 95981418

IUPAC6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine
SMILESCC(C)C[C@@H](CNc1cc(-n2ccnc2)ncn1)N1CCOCC1
InChIInChI=1S/C17H26N6O/c1-14(2)9-15(22-5-7-24-8-6-22)11-19-16-10-17(21-12-20-16)23-4-3-18-13-23/h3-4,10,12-15H,5-9,11H2,1-2H3,(H,19,20,21)/t15-/m0/s1
InChIKeyPKWQVVQQIGIWOE-HNNXBMFYSA-N
MW330.44 g/mol
LogP1.82
Rot. Bonds7

About 6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine

6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine (PubChem CID 95981418) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine
PubChem CID95981418
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine
SMILESCC(C)C[C@@H](CNc1cc(-n2ccnc2)ncn1)N1CCOCC1
InChIInChI=1S/C17H26N6O/c1-14(2)9-15(22-5-7-24-8-6-22)11-19-16-10-17(21-12-20-16)23-4-3-18-13-23/h3-4,10,12-15H,5-9,11H2,1-2H3,(H,19,20,21)/t15-/m0/s1
InChIKeyPKWQVVQQIGIWOE-HNNXBMFYSA-N
XLogP1.82
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine?
The IUPAC name of 6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine (CID 95981418) is 6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine?
The canonical SMILES for 6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine is CC(C)C[C@@H](CNc1cc(-n2ccnc2)ncn1)N1CCOCC1.
What is the InChIKey of 6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine?
The InChIKey is PKWQVVQQIGIWOE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-14(2)9-15(22-5-7-24-8-6-22)11-19-16-10-17(21-12-20-16)23-4-3-18-13-23/h3-4,10,12-15H,5-9,11H2,1-2H3,(H,19,20,21)/t15-/m0/s1.
What are the key properties of 6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine?
6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine is sourced from PubChem (CID 95981418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).