N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide

C22H31N5O — CID 109322269

IUPACN-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2nc(C)cc(C(=O)NC3CCCC3)n2)c(C)c1
InChIInChI=1S/C22H31N5O/c1-5-27(6-2)18-11-12-19(15(3)13-18)25-22-23-16(4)14-20(26-22)21(28)24-17-9-7-8-10-17/h11-14,17H,5-10H2,1-4H3,(H,24,28)(H,23,25,26)
InChIKeyHFRMXEMNVSEMHM-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.36
Rot. Bonds7

About N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide

N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109322269) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide
PubChem CID109322269
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2nc(C)cc(C(=O)NC3CCCC3)n2)c(C)c1
InChIInChI=1S/C22H31N5O/c1-5-27(6-2)18-11-12-19(15(3)13-18)25-22-23-16(4)14-20(26-22)21(28)24-17-9-7-8-10-17/h11-14,17H,5-10H2,1-4H3,(H,24,28)(H,23,25,26)
InChIKeyHFRMXEMNVSEMHM-UHFFFAOYSA-N
XLogP4.36
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.36
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

2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide
CID 109322767
N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109322853
N-cyclopropyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319930
azepan-1-yl-[2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidin-4-yl]methanone
CID 109334514
2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332958
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109271738
N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide
CID 109201867
N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109332952
N-[4-(diethylamino)-2-methylphenyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109319048
2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322174
N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332948
N-[4-(diethylamino)-2-methylphenyl]-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324675

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide (CID 109322269) is N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide is CCN(CC)c1ccc(Nc2nc(C)cc(C(=O)NC3CCCC3)n2)c(C)c1.
What is the InChIKey of N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is HFRMXEMNVSEMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-5-27(6-2)18-11-12-19(15(3)13-18)25-22-23-16(4)14-20(26-22)21(28)24-17-9-7-8-10-17/h11-14,17H,5-10H2,1-4H3,(H,24,28)(H,23,25,26).
What are the key properties of N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide?
N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).