6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

C19H27N5O2 — CID 109366104

IUPAC6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCCN(C)C)cc(C(=O)Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C19H27N5O2/c1-13(2)26-16-8-6-15(7-9-16)23-19(25)17-12-18(22-14(3)21-17)20-10-11-24(4)5/h6-9,12-13H,10-11H2,1-5H3,(H,23,25)(H,20,21,22)
InChIKeyVZNRRVIRECTFAN-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.80
Rot. Bonds8

About 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109366104) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
PubChem CID109366104
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCCN(C)C)cc(C(=O)Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C19H27N5O2/c1-13(2)26-16-8-6-15(7-9-16)23-19(25)17-12-18(22-14(3)21-17)20-10-11-24(4)5/h6-9,12-13H,10-11H2,1-5H3,(H,23,25)(H,20,21,22)
InChIKeyVZNRRVIRECTFAN-UHFFFAOYSA-N
XLogP2.80
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 112846753
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109366110
N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366096
2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109366422
6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109366614
N-(4-ethylphenyl)-2-methyl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112849449
6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109366623
N-(3,5-dimethylphenyl)-2-methyl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112849129
N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360129
6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109366141
N-(2,5-dimethylphenyl)-2-methyl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112848969
2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362017

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (CID 109366104) is 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is Cc1nc(NCCN(C)C)cc(C(=O)Nc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is VZNRRVIRECTFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13(2)26-16-8-6-15(7-9-16)23-19(25)17-12-18(22-14(3)21-17)20-10-11-24(4)5/h6-9,12-13H,10-11H2,1-5H3,(H,23,25)(H,20,21,22).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109366104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).