N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine

C21H22N4O — CID 112880543

IUPACN-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H22N4O/c1-16-7-9-18(10-8-16)22-19-15-20(25-11-13-26-14-12-25)24-21(23-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,22,23,24)
InChIKeyYPCAIWXUDNYOKR-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.03
Rot. Bonds4

About N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine

N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine (PubChem CID 112880543) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
PubChem CID112880543
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H22N4O/c1-16-7-9-18(10-8-16)22-19-15-20(25-11-13-26-14-12-25)24-21(23-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,22,23,24)
InChIKeyYPCAIWXUDNYOKR-UHFFFAOYSA-N
XLogP4.03
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880558
N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880581
6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine
CID 117085579
N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880572
6-morpholin-4-yl-2-phenyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880557
N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880553
N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112879434
N-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880969
N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine
CID 796113
6-morpholin-4-yl-2-phenyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112880500
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 1082032
N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880580

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine (CID 112880543) is N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine is Cc1ccc(Nc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The InChIKey is YPCAIWXUDNYOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-7-9-18(10-8-16)22-19-15-20(25-11-13-26-14-12-25)24-21(23-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,22,23,24).
What are the key properties of N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine has a molecular weight of 346.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112880543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).