6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide

C22H29N5O — CID 109363902

IUPAC6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCCC2)cc(C(=O)Nc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C22H29N5O/c1-16-23-20(15-21(24-16)25-17-7-3-2-4-8-17)22(28)26-18-9-11-19(12-10-18)27-13-5-6-14-27/h9-12,15,17H,2-8,13-14H2,1H3,(H,26,28)(H,23,24,25)
InChIKeyYRYHKDBKYYICAH-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.38
Rot. Bonds5

About 6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide

6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109363902) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109363902
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCCC2)cc(C(=O)Nc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C22H29N5O/c1-16-23-20(15-21(24-16)25-17-7-3-2-4-8-17)22(28)26-18-9-11-19(12-10-18)27-13-5-6-14-27/h9-12,15,17H,2-8,13-14H2,1H3,(H,26,28)(H,23,24,25)
InChIKeyYRYHKDBKYYICAH-UHFFFAOYSA-N
XLogP4.38
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.38
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)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363896
6-(cyclohexylamino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109363847
6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109360922
6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109373734
N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide
CID 109373944
6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109363881
5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109287624
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363576
2-methyl-6-(propylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109360131
4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109205031
N-[4-(azepan-1-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 55856932

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide (CID 109363902) is 6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide is Cc1nc(NC2CCCCC2)cc(C(=O)Nc2ccc(N3CCCC3)cc2)n1.
What is the InChIKey of 6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is YRYHKDBKYYICAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-16-23-20(15-21(24-16)25-17-7-3-2-4-8-17)22(28)26-18-9-11-19(12-10-18)27-13-5-6-14-27/h9-12,15,17H,2-8,13-14H2,1H3,(H,26,28)(H,23,24,25).
What are the key properties of 6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide?
6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109363902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).