2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide

C21H29N5O — CID 109298731

IUPAC2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C21H29N5O/c1-3-26(4-2)18-12-10-17(11-13-18)23-20(27)19-14-15-22-21(25-19)24-16-8-6-5-7-9-16/h10-16H,3-9H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyDYLUYXGVLHURFT-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.32
Rot. Bonds7

About 2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide

2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide (PubChem CID 109298731) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide
PubChem CID109298731
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C21H29N5O/c1-3-26(4-2)18-12-10-17(11-13-18)23-20(27)19-14-15-22-21(25-19)24-16-8-6-5-7-9-16/h10-16H,3-9H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyDYLUYXGVLHURFT-UHFFFAOYSA-N
XLogP4.32
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298724
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109295704
N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311519
N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
CID 109295866
N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315291
2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298018
2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109297996
N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298721
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide (CID 109298731) is 2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccnc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide?
The InChIKey is DYLUYXGVLHURFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-3-26(4-2)18-12-10-17(11-13-18)23-20(27)19-14-15-22-21(25-19)24-16-8-6-5-7-9-16/h10-16H,3-9H2,1-2H3,(H,23,27)(H,22,24,25).
What are the key properties of 2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide?
2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109298731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).