N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine

C17H20N4O — CID 112879434

IUPACN-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
SMILESc1ccc(-c2nc(NC3CC3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H20N4O/c1-2-4-13(5-3-1)17-19-15(18-14-6-7-14)12-16(20-17)21-8-10-22-11-9-21/h1-5,12,14H,6-11H2,(H,18,19,20)
InChIKeyCXQUGUUKSCFWTJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.55
Rot. Bonds4

About N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine

N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine (PubChem CID 112879434) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
PubChem CID112879434
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
SMILESc1ccc(-c2nc(NC3CC3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H20N4O/c1-2-4-13(5-3-1)17-19-15(18-14-6-7-14)12-16(20-17)21-8-10-22-11-9-21/h1-5,12,14H,6-11H2,(H,18,19,20)
InChIKeyCXQUGUUKSCFWTJ-UHFFFAOYSA-N
XLogP2.55
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880530
6-morpholin-4-yl-2-phenyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112880500
N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880543
6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880558
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
4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine
CID 1378888
N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880580
N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880581
N-[(2-methoxyphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880506
N-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880538
4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 117085878

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine (CID 112879434) is N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine is c1ccc(-c2nc(NC3CC3)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The InChIKey is CXQUGUUKSCFWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-4-13(5-3-1)17-19-15(18-14-6-7-14)12-16(20-17)21-8-10-22-11-9-21/h1-5,12,14H,6-11H2,(H,18,19,20).
What are the key properties of N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine has a molecular weight of 296.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112879434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).