2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide

C16H20N4O2 — CID 54853723

IUPAC2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide
SMILESCNC(=O)c1c(C)nc(N)nc1COc1cc(C)ccc1C
InChIInChI=1S/C16H20N4O2/c1-9-5-6-10(2)13(7-9)22-8-12-14(15(21)18-4)11(3)19-16(17)20-12/h5-7H,8H2,1-4H3,(H,18,21)(H2,17,19,20)
InChIKeyZZJKIRXEXDVFTQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.92
Rot. Bonds4

About 2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide

2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide (PubChem CID 54853723) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide
PubChem CID54853723
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide
SMILESCNC(=O)c1c(C)nc(N)nc1COc1cc(C)ccc1C
InChIInChI=1S/C16H20N4O2/c1-9-5-6-10(2)13(7-9)22-8-12-14(15(21)18-4)11(3)19-16(17)20-12/h5-7H,8H2,1-4H3,(H,18,21)(H2,17,19,20)
InChIKeyZZJKIRXEXDVFTQ-UHFFFAOYSA-N
XLogP1.92
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853917
ethyl 2-amino-4-[(2,4-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851778
2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54854022
2-amino-4-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851833
2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851565
2-amino-4-[(2,4-ditert-butylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54850590
2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54851072
2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850715
2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853663
2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54851170
2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850622
2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
CID 54853690

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide (CID 54853723) is 2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide is CNC(=O)c1c(C)nc(N)nc1COc1cc(C)ccc1C.
What is the InChIKey of 2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide?
The InChIKey is ZZJKIRXEXDVFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-9-5-6-10(2)13(7-9)22-8-12-14(15(21)18-4)11(3)19-16(17)20-12/h5-7H,8H2,1-4H3,(H,18,21)(H2,17,19,20).
What are the key properties of 2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide?
2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 54853723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).