2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide

C21H22N4O2 — CID 54853951

IUPAC2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
SMILESCNC(=O)c1c(C)nc(N)nc1-c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C21H22N4O2/c1-14-18(20(26)23-2)19(25-21(22)24-14)16-8-10-17(11-9-16)27-13-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,23,26)(H2,22,24,25)
InChIKeyFMRLCDDOKXLOSF-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.02
Rot. Bonds6

About 2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide

2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide (PubChem CID 54853951) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
PubChem CID54853951
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
SMILESCNC(=O)c1c(C)nc(N)nc1-c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C21H22N4O2/c1-14-18(20(26)23-2)19(25-21(22)24-14)16-8-10-17(11-9-16)27-13-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,23,26)(H2,22,24,25)
InChIKeyFMRLCDDOKXLOSF-UHFFFAOYSA-N
XLogP3.02
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853701
2-amino-N,N,4-trimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54852220
2-amino-N,4-dimethyl-6-(4-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853581
2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
CID 54853982
2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide
CID 54854058
2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54854022
ethyl 2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylate
CID 54851650
2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851549
2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851412
2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850497
2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide
CID 54851744
2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852026

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide (CID 54853951) is 2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide is CNC(=O)c1c(C)nc(N)nc1-c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide?
The InChIKey is FMRLCDDOKXLOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-18(20(26)23-2)19(25-21(22)24-14)16-8-10-17(11-9-16)27-13-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,23,26)(H2,22,24,25).
What are the key properties of 2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide?
2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 54853951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).