N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide

C20H26N4O3 — CID 109322159

IUPACN-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(OCCNc2nc(C)cc(C(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C20H26N4O3/c1-14-13-18(19(25)23-15-5-3-4-6-15)24-20(22-14)21-11-12-27-17-9-7-16(26-2)8-10-17/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyPHPJPZJCWJZZAC-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.96
Rot. Bonds8

About N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide

N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109322159) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide
PubChem CID109322159
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(OCCNc2nc(C)cc(C(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C20H26N4O3/c1-14-13-18(19(25)23-15-5-3-4-6-15)24-20(22-14)21-11-12-27-17-9-7-16(26-2)8-10-17/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyPHPJPZJCWJZZAC-UHFFFAOYSA-N
XLogP2.96
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109295787
4-N-cycloheptyl-2-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924534
N-cyclopentyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109341446
N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109204797
N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109322884
N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109322838
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109322833
N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109332449
N-cyclopentyl-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109322113
N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319258
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322171

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide (CID 109322159) is N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide is COc1ccc(OCCNc2nc(C)cc(C(=O)NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is PHPJPZJCWJZZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-13-18(19(25)23-15-5-3-4-6-15)24-20(22-14)21-11-12-27-17-9-7-16(26-2)8-10-17/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide?
N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).