N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide

C22H25N5O — CID 112853682

IUPACN-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccccc1Nc1cc(C(=O)NCCN(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C22H25N5O/c1-16-9-7-8-12-18(16)24-20-15-19(22(28)23-13-14-27(2)3)25-21(26-20)17-10-5-4-6-11-17/h4-12,15H,13-14H2,1-3H3,(H,23,28)(H,24,25,26)
InChIKeyYBVXQYHBGYPNGT-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.49
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853682) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853682
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccccc1Nc1cc(C(=O)NCCN(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C22H25N5O/c1-16-9-7-8-12-18(16)24-20-15-19(22(28)23-13-14-27(2)3)25-21(26-20)17-10-5-4-6-11-17/h4-12,15H,13-14H2,1-3H3,(H,23,28)(H,24,25,26)
InChIKeyYBVXQYHBGYPNGT-UHFFFAOYSA-N
XLogP3.49
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(dimethylamino)ethylamino]-N-(2-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853624
6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide
CID 112853763
6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide
CID 112853384
N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853685
N-butyl-6-(2-fluoroanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852323
6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide
CID 42603313
N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853731
6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
methyl 2-[[6-[2-(dimethylamino)ethylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109366288
3-[[2-[[6-[2-(dimethylamino)ethylamino]-2-phenylpyrimidine-4-carbonyl]amino]benzoyl]amino]propanoic acid
CID 42603279
N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853652
6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851453

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide (CID 112853682) is N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide is Cc1ccccc1Nc1cc(C(=O)NCCN(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is YBVXQYHBGYPNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-9-7-8-12-18(16)24-20-15-19(22(28)23-13-14-27(2)3)25-21(26-20)17-10-5-4-6-11-17/h4-12,15H,13-14H2,1-3H3,(H,23,28)(H,24,25,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).