4-(5-cyclopropyl-1H-imidazol-2-yl)-N-methyl-6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine

C23H28N6O — CID 162656423

IUPAC4-(5-cyclopropyl-1H-imidazol-2-yl)-N-methyl-6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
SMILESCN(CCc1ccccc1)c1nc(-c2ncc(C3CC3)[nH]2)cc(N2CCOCC2)n1
InChIInChI=1S/C23H28N6O/c1-28(10-9-17-5-3-2-4-6-17)23-26-19(22-24-16-20(25-22)18-7-8-18)15-21(27-23)29-11-13-30-14-12-29/h2-6,15-16,18H,7-14H2,1H3,(H,24,25)
InChIKeyBKXZGTGIELCGMW-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.26
Rot. Bonds7

About 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-methyl-6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine

4-(5-cyclopropyl-1H-imidazol-2-yl)-N-methyl-6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine (PubChem CID 162656423) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-methyl-6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-cyclopropyl-1H-imidazol-2-yl)-N-methyl-6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
PubChem CID162656423
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name4-(5-cyclopropyl-1H-imidazol-2-yl)-N-methyl-6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
SMILESCN(CCc1ccccc1)c1nc(-c2ncc(C3CC3)[nH]2)cc(N2CCOCC2)n1
InChIInChI=1S/C23H28N6O/c1-28(10-9-17-5-3-2-4-6-17)23-26-19(22-24-16-20(25-22)18-7-8-18)15-21(27-23)29-11-13-30-14-12-29/h2-6,15-16,18H,7-14H2,1H3,(H,24,25)
InChIKeyBKXZGTGIELCGMW-UHFFFAOYSA-N
XLogP3.26
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-methyl-6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine with MolForge

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Related Compounds

2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
CID 162645165
N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935382
N-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166097427
N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine
CID 112935415
N-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 68648109
N-methyl-5-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112954689
N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 148916671
N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934134
N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine
CID 54561117
N-benzyl-N-methyl-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298525
4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride
CID 165432105
N-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112886568

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-methyl-6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-methyl-6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine (CID 162656423) is 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-methyl-6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-methyl-6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-methyl-6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine is CN(CCc1ccccc1)c1nc(-c2ncc(C3CC3)[nH]2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-methyl-6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine?
The InChIKey is BKXZGTGIELCGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-28(10-9-17-5-3-2-4-6-17)23-26-19(22-24-16-20(25-22)18-7-8-18)15-21(27-23)29-11-13-30-14-12-29/h2-6,15-16,18H,7-14H2,1H3,(H,24,25).
What are the key properties of 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-methyl-6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine?
4-(5-cyclopropyl-1H-imidazol-2-yl)-N-methyl-6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine has a molecular weight of 404.52 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-methyl-6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 162656423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).