N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide

C18H24N4O2 — CID 109306256

IUPACN-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccnc(NCCC(C)C)n1
InChIInChI=1S/C18H24N4O2/c1-13(2)8-10-19-18-20-11-9-15(22-18)17(23)21-12-14-6-4-5-7-16(14)24-3/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,21,23)(H,19,20,22)
InChIKeyINIUVHKMERUKCS-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.87
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide

N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 109306256) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID109306256
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccnc(NCCC(C)C)n1
InChIInChI=1S/C18H24N4O2/c1-13(2)8-10-19-18-20-11-9-15(22-18)17(23)21-12-14-6-4-5-7-16(14)24-3/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,21,23)(H,19,20,22)
InChIKeyINIUVHKMERUKCS-UHFFFAOYSA-N
XLogP2.87
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109305403
2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296927
N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304715
N-[(2-methoxyphenyl)methyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109306237
2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307058
2-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307030
N-[(2-methoxyphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109306281
2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306303
2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304859
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470
2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307886
2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109311828

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 109306256) is N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide is COc1ccccc1CNC(=O)c1ccnc(NCCC(C)C)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is INIUVHKMERUKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(2)8-10-19-18-20-11-9-15(22-18)17(23)21-12-14-6-4-5-7-16(14)24-3/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,21,23)(H,19,20,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109306256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).