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

C22H24N4O2 — CID 54852220

IUPAC2-amino-N,N,4-trimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
SMILESCc1nc(N)nc(-c2ccc(OCCc3ccccc3)cc2)c1C(=O)N(C)C
InChIInChI=1S/C22H24N4O2/c1-15-19(21(27)26(2)3)20(25-22(23)24-15)17-9-11-18(12-10-17)28-14-13-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H2,23,24,25)
InChIKeyGLYHIGACYJCHEQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.36
Rot. Bonds6

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

2-amino-N,N,4-trimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide (PubChem CID 54852220) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-amino-N,N,4-trimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N,N,4-trimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
PubChem CID54852220
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-amino-N,N,4-trimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
SMILESCc1nc(N)nc(-c2ccc(OCCc3ccccc3)cc2)c1C(=O)N(C)C
InChIInChI=1S/C22H24N4O2/c1-15-19(21(27)26(2)3)20(25-22(23)24-15)17-9-11-18(12-10-17)28-14-13-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H2,23,24,25)
InChIKeyGLYHIGACYJCHEQ-UHFFFAOYSA-N
XLogP3.36
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
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,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853951
2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852026
2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852097
2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850497
ethyl 2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylate
CID 54851650
2-amino-N,4-dimethyl-6-(4-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853581
2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851549
2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852140
2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide
CID 54850579
2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54851875
2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851412

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N,4-trimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N,N,4-trimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide (CID 54852220) is 2-amino-N,N,4-trimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N,N,4-trimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N,N,4-trimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide is Cc1nc(N)nc(-c2ccc(OCCc3ccccc3)cc2)c1C(=O)N(C)C.
What is the InChIKey of 2-amino-N,N,4-trimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide?
The InChIKey is GLYHIGACYJCHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-19(21(27)26(2)3)20(25-22(23)24-15)17-9-11-18(12-10-17)28-14-13-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H2,23,24,25).
What are the key properties of 2-amino-N,N,4-trimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide?
2-amino-N,N,4-trimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N,4-trimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 54852220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).