N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide

C22H29N5O2 — CID 109364061

IUPACN-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2N2CCOCC2)cc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C22H29N5O2/c1-16-23-19(22(28)25-17-7-3-2-4-8-17)15-21(24-16)26-18-9-5-6-10-20(18)27-11-13-29-14-12-27/h5-6,9-10,15,17H,2-4,7-8,11-14H2,1H3,(H,25,28)(H,23,24,26)
InChIKeyCBDIBXDCHLQLOR-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.43
Rot. Bonds5

About N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide

N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109364061) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
PubChem CID109364061
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2N2CCOCC2)cc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C22H29N5O2/c1-16-23-19(22(28)25-17-7-3-2-4-8-17)15-21(24-16)26-18-9-5-6-10-20(18)27-11-13-29-14-12-27/h5-6,9-10,15,17H,2-4,7-8,11-14H2,1H3,(H,25,28)(H,23,24,26)
InChIKeyCBDIBXDCHLQLOR-UHFFFAOYSA-N
XLogP3.43
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-6-(2-morpholin-4-ylanilino)pyridazine-3-carboxamide
CID 109112411
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637
N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
CID 109366826
N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373996
methyl 2-[[6-(cycloheptylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112846397
4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112867594
N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364039
1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea
CID 113049830
N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109363408
6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109361076
N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109363938
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide (CID 109364061) is N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2N2CCOCC2)cc(C(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is CBDIBXDCHLQLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16-23-19(22(28)25-17-7-3-2-4-8-17)15-21(24-16)26-18-9-5-6-10-20(18)27-11-13-29-14-12-27/h5-6,9-10,15,17H,2-4,7-8,11-14H2,1H3,(H,25,28)(H,23,24,26).
What are the key properties of N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide?
N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109364061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).