2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide

C18H24N4O2 — CID 54853663

IUPAC2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1c(C)nc(N)nc1C(C)Oc1cc(C)ccc1C
InChIInChI=1S/C18H24N4O2/c1-6-20-17(23)15-12(4)21-18(19)22-16(15)13(5)24-14-9-10(2)7-8-11(14)3/h7-9,13H,6H2,1-5H3,(H,20,23)(H2,19,21,22)
InChIKeyBJAPHVJRMFUTHP-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.87
Rot. Bonds5

About 2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide

2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide (PubChem CID 54853663) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
PubChem CID54853663
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1c(C)nc(N)nc1C(C)Oc1cc(C)ccc1C
InChIInChI=1S/C18H24N4O2/c1-6-20-17(23)15-12(4)21-18(19)22-16(15)13(5)24-14-9-10(2)7-8-11(14)3/h7-9,13H,6H2,1-5H3,(H,20,23)(H2,19,21,22)
InChIKeyBJAPHVJRMFUTHP-UHFFFAOYSA-N
XLogP2.87
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.87
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-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide
CID 54853590
2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853917
2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide
CID 54850894
2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54853624
2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide
CID 54853723
2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852104
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853960
2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
CID 53284304
2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983
methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate
CID 64706636

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide (CID 54853663) is 2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide is CCNC(=O)c1c(C)nc(N)nc1C(C)Oc1cc(C)ccc1C.
What is the InChIKey of 2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide?
The InChIKey is BJAPHVJRMFUTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-6-20-17(23)15-12(4)21-18(19)22-16(15)13(5)24-14-9-10(2)7-8-11(14)3/h7-9,13H,6H2,1-5H3,(H,20,23)(H2,19,21,22).
What are the key properties of 2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide?
2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 54853663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).