N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide

C20H28N4O2 — CID 109330967

IUPACN-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1nc(C)cc(C(=O)NCCc2ccccc2OC)n1
InChIInChI=1S/C20H28N4O2/c1-4-5-8-12-22-20-23-15(2)14-17(24-20)19(25)21-13-11-16-9-6-7-10-18(16)26-3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyYQWMQOAKMZDHFJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.37
Rot. Bonds10

About N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide (PubChem CID 109330967) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
PubChem CID109330967
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1nc(C)cc(C(=O)NCCc2ccccc2OC)n1
InChIInChI=1S/C20H28N4O2/c1-4-5-8-12-22-20-23-15(2)14-17(24-20)19(25)21-13-11-16-9-6-7-10-18(16)26-3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyYQWMQOAKMZDHFJ-UHFFFAOYSA-N
XLogP3.37
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyphenyl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109330925
2-(tert-butylamino)-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330964
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329095
N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323874
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109329174
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109330976
N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109321407
N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323883
N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330867
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330945
N-(3-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330950
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109330975

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide (CID 109330967) is N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide is CCCCCNc1nc(C)cc(C(=O)NCCc2ccccc2OC)n1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide?
The InChIKey is YQWMQOAKMZDHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-5-8-12-22-20-23-15(2)14-17(24-20)19(25)21-13-11-16-9-6-7-10-18(16)26-3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.37, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).