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

C21H28N4O — CID 112880530

IUPACN-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
SMILESc1ccc(-c2nc(NC3CCCCCC3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H28N4O/c1-2-7-11-18(10-6-1)22-19-16-20(25-12-14-26-15-13-25)24-21(23-19)17-8-4-3-5-9-17/h3-5,8-9,16,18H,1-2,6-7,10-15H2,(H,22,23,24)
InChIKeyNWCOCRMQPNHNKZ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.11
Rot. Bonds4

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

N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine (PubChem CID 112880530) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
PubChem CID112880530
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
SMILESc1ccc(-c2nc(NC3CCCCCC3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H28N4O/c1-2-7-11-18(10-6-1)22-19-16-20(25-12-14-26-15-13-25)24-21(23-19)17-8-4-3-5-9-17/h3-5,8-9,16,18H,1-2,6-7,10-15H2,(H,22,23,24)
InChIKeyNWCOCRMQPNHNKZ-UHFFFAOYSA-N
XLogP4.11
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112879434
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
N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880553
6-morpholin-4-yl-2-phenyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880557
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
[2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium
CID 123635147
4-N-cycloheptyl-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880638
4-[6-(oxolan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112880609
N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880581

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine (CID 112880530) is N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine is c1ccc(-c2nc(NC3CCCCCC3)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The InChIKey is NWCOCRMQPNHNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-2-7-11-18(10-6-1)22-19-16-20(25-12-14-26-15-13-25)24-21(23-19)17-8-4-3-5-9-17/h3-5,8-9,16,18H,1-2,6-7,10-15H2,(H,22,23,24).
What are the key properties of N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine has a molecular weight of 352.48 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112880530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).