N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide

C19H26N4O3 — CID 109340809

IUPACN-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(NCCc2ccc(OC)c(OC)c2)ncn1
InChIInChI=1S/C19H26N4O3/c1-5-13(2)23-19(24)15-11-18(22-12-21-15)20-9-8-14-6-7-16(25-3)17(10-14)26-4/h6-7,10-13H,5,8-9H2,1-4H3,(H,23,24)(H,20,21,22)
InChIKeyRDHULEAWVAZWJQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.68
Rot. Bonds9

About N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide

N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109340809) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109340809
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(NCCc2ccc(OC)c(OC)c2)ncn1
InChIInChI=1S/C19H26N4O3/c1-5-13(2)23-19(24)15-11-18(22-12-21-15)20-9-8-14-6-7-16(25-3)17(10-14)26-4/h6-7,10-13H,5,8-9H2,1-4H3,(H,23,24)(H,20,21,22)
InChIKeyRDHULEAWVAZWJQ-UHFFFAOYSA-N
XLogP2.68
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340798
N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340810
N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109346649
N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109342014
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352305
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109350430
N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109340888
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112862461
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339467
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine
CID 61236065
4-[[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113192901
N'-butan-2-yl-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108941786

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide (CID 109340809) is N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(NCCc2ccc(OC)c(OC)c2)ncn1.
What is the InChIKey of N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is RDHULEAWVAZWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-5-13(2)23-19(24)15-11-18(22-12-21-15)20-9-8-14-6-7-16(25-3)17(10-14)26-4/h6-7,10-13H,5,8-9H2,1-4H3,(H,23,24)(H,20,21,22).
What are the key properties of N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109340809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).