4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine

C11H15N5O2 — CID 114181079

IUPAC4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine
SMILESCCc1cnc(CNc2cc(OC)nc(N)n2)o1
InChIInChI=1S/C11H15N5O2/c1-3-7-5-14-10(18-7)6-13-8-4-9(17-2)16-11(12)15-8/h4-5H,3,6H2,1-2H3,(H3,12,13,15,16)
InChIKeyLXUKMCMVSIVFJQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.23
Rot. Bonds5

About 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine

4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine (PubChem CID 114181079) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine
PubChem CID114181079
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine
SMILESCCc1cnc(CNc2cc(OC)nc(N)n2)o1
InChIInChI=1S/C11H15N5O2/c1-3-7-5-14-10(18-7)6-13-8-4-9(17-2)16-11(12)15-8/h4-5H,3,6H2,1-2H3,(H3,12,13,15,16)
InChIKeyLXUKMCMVSIVFJQ-UHFFFAOYSA-N
XLogP1.23
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 106378379
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114181084
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxypyridin-4-amine
CID 114180523
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106378503
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 106378500
6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898452
6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106375419
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 106378527
6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817433
6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 104696689
4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxy-1,3,5-triazin-2-amine
CID 106373482
4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine
CID 106378956

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine (CID 114181079) is 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine is CCc1cnc(CNc2cc(OC)nc(N)n2)o1.
What is the InChIKey of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine?
The InChIKey is LXUKMCMVSIVFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-7-5-14-10(18-7)6-13-8-4-9(17-2)16-11(12)15-8/h4-5H,3,6H2,1-2H3,(H3,12,13,15,16).
What are the key properties of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine?
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine has a molecular weight of 249.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 114181079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).