N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

C20H26N4O — CID 109298869

IUPACN-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCC(C)c1ccc(Nc2nccc(C(=O)NC3CCCCC3)n2)cc1
InChIInChI=1S/C20H26N4O/c1-14(2)15-8-10-17(11-9-15)23-20-21-13-12-18(24-20)19(25)22-16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyTXKNQZHQWNXTLV-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.41
Rot. Bonds5

About N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109298869) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109298869
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCC(C)c1ccc(Nc2nccc(C(=O)NC3CCCCC3)n2)cc1
InChIInChI=1S/C20H26N4O/c1-14(2)15-8-10-17(11-9-15)23-20-21-13-12-18(24-20)19(25)22-16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyTXKNQZHQWNXTLV-UHFFFAOYSA-N
XLogP4.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109298906
N-cyclopentyl-2-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109298177
2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide
CID 109295859
N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109298915
N-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109311338
2-(4-chloroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316132
N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109298132
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304746
N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
CID 109295866
N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109307912

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109298869) is N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is CC(C)c1ccc(Nc2nccc(C(=O)NC3CCCCC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is TXKNQZHQWNXTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(2)15-8-10-17(11-9-15)23-20-21-13-12-18(24-20)19(25)22-16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109298869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).