2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide

C19H26N4O2 — CID 54853960

IUPAC2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
SMILESCCNC(=O)c1c(C)nc(N)nc1-c1ccccc1OCCC(C)C
InChIInChI=1S/C19H26N4O2/c1-5-21-18(24)16-13(4)22-19(20)23-17(16)14-8-6-7-9-15(14)25-11-10-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,21,24)(H2,20,22,23)
InChIKeyAPIVSXSUUCZGGR-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.21
Rot. Bonds7

About 2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide

2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide (PubChem CID 54853960) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
PubChem CID54853960
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
SMILESCCNC(=O)c1c(C)nc(N)nc1-c1ccccc1OCCC(C)C
InChIInChI=1S/C19H26N4O2/c1-5-21-18(24)16-13(4)22-19(20)23-17(16)14-8-6-7-9-15(14)25-11-10-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,21,24)(H2,20,22,23)
InChIKeyAPIVSXSUUCZGGR-UHFFFAOYSA-N
XLogP3.21
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853653
2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54854046
2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
ethyl 2-amino-4-methyl-6-[2-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851288
2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54851875
ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 54851455
2-amino-4-(2-ethoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853820
2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851549
2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853701
2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853812
2-amino-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide
CID 54853590

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide (CID 54853960) is 2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide is CCNC(=O)c1c(C)nc(N)nc1-c1ccccc1OCCC(C)C.
What is the InChIKey of 2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide?
The InChIKey is APIVSXSUUCZGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-21-18(24)16-13(4)22-19(20)23-17(16)14-8-6-7-9-15(14)25-11-10-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,21,24)(H2,20,22,23).
What are the key properties of 2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide?
2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 54853960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).