2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide

C17H22N4O2 — CID 54851987

IUPAC2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
SMILESCCCOc1ccccc1-c1nc(N)nc(C)c1C(=O)N(C)C
InChIInChI=1S/C17H22N4O2/c1-5-10-23-13-9-7-6-8-12(13)15-14(16(22)21(3)4)11(2)19-17(18)20-15/h6-9H,5,10H2,1-4H3,(H2,18,19,20)
InChIKeyXGWRXWAIPOOMMX-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.52
Rot. Bonds5

About 2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide

2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 54851987) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
PubChem CID54851987
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
SMILESCCCOc1ccccc1-c1nc(N)nc(C)c1C(=O)N(C)C
InChIInChI=1S/C17H22N4O2/c1-5-10-23-13-9-7-6-8-12(13)15-14(16(22)21(3)4)11(2)19-17(18)20-15/h6-9H,5,10H2,1-4H3,(H2,18,19,20)
InChIKeyXGWRXWAIPOOMMX-UHFFFAOYSA-N
XLogP2.52
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54851875
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
2-amino-4-(2-ethoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853820
2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54854046
ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 54851455
2-amino-4-(2-bromophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852429
2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853960
ethyl 2-amino-4-methyl-6-[2-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851288
2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853653
2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850453
2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852026
2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852183

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide (CID 54851987) is 2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide is CCCOc1ccccc1-c1nc(N)nc(C)c1C(=O)N(C)C.
What is the InChIKey of 2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is XGWRXWAIPOOMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-5-10-23-13-9-7-6-8-12(13)15-14(16(22)21(3)4)11(2)19-17(18)20-15/h6-9H,5,10H2,1-4H3,(H2,18,19,20).
What are the key properties of 2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide?
2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.52, 5 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-(2-propoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 54851987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).