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

C22H25N5O2 — CID 109366141

IUPAC6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCCN(C)C)cc(C(=O)Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C22H25N5O2/c1-16-24-19(15-21(25-16)23-13-14-27(2)3)22(28)26-18-11-7-8-12-20(18)29-17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyNNNWMDTVQGVSIB-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.80
Rot. Bonds8

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

6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109366141) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109366141
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCCN(C)C)cc(C(=O)Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C22H25N5O2/c1-16-24-19(15-21(25-16)23-13-14-27(2)3)22(28)26-18-11-7-8-12-20(18)29-17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyNNNWMDTVQGVSIB-UHFFFAOYSA-N
XLogP3.80
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 112846570
6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109366614
6-[2-(dimethylamino)ethylamino]-N-(2-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853624
6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109366104
4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide
CID 109208035
N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109366300
N-[2-(dimethylamino)ethyl]-6-[2-(2-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366189
2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361525
N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366096
6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide
CID 42603313
N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366003
6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368315

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide (CID 109366141) is 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide is Cc1nc(NCCN(C)C)cc(C(=O)Nc2ccccc2Oc2ccccc2)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is NNNWMDTVQGVSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-24-19(15-21(25-16)23-13-14-27(2)3)22(28)26-18-11-7-8-12-20(18)29-17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3,(H,26,28)(H,23,24,25).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide?
6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.80, 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-(2-phenoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109366141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).