2-amino-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide

C18H24N4O2 — CID 54853590

IUPAC2-amino-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide
SMILESCCNC(=O)c1c(C)nc(N)nc1C(CC)Oc1ccccc1C
InChIInChI=1S/C18H24N4O2/c1-5-13(24-14-10-8-7-9-11(14)3)16-15(17(23)20-6-2)12(4)21-18(19)22-16/h7-10,13H,5-6H2,1-4H3,(H,20,23)(H2,19,21,22)
InChIKeyHMOUGRZFWHYVBG-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.96
Rot. Bonds6

About 2-amino-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide

2-amino-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide (PubChem CID 54853590) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide
PubChem CID54853590
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-amino-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide
SMILESCCNC(=O)c1c(C)nc(N)nc1C(CC)Oc1ccccc1C
InChIInChI=1S/C18H24N4O2/c1-5-13(24-14-10-8-7-9-11(14)3)16-15(17(23)20-6-2)12(4)21-18(19)22-16/h7-10,13H,5-6H2,1-4H3,(H,20,23)(H2,19,21,22)
InChIKeyHMOUGRZFWHYVBG-UHFFFAOYSA-N
XLogP2.96
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[1-(2,6-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853773
2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853663
2-amino-N,N,4-trimethyl-6-(1-phenoxypropyl)pyrimidine-5-carboxamide
CID 54852291
2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853960
methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride
CID 175100899
2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853917
2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54853624
2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853812
N-(ethylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625657
2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853701
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853844

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide (CID 54853590) is 2-amino-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide is CCNC(=O)c1c(C)nc(N)nc1C(CC)Oc1ccccc1C.
What is the InChIKey of 2-amino-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide?
The InChIKey is HMOUGRZFWHYVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-13(24-14-10-8-7-9-11(14)3)16-15(17(23)20-6-2)12(4)21-18(19)22-16/h7-10,13H,5-6H2,1-4H3,(H,20,23)(H2,19,21,22).
What are the key properties of 2-amino-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide?
2-amino-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.96, 6 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-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 54853590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).