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

C10H14N6O — CID 106378379

IUPAC4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCCc1cnc(CNc2cc(N)nc(N)n2)o1
InChIInChI=1S/C10H14N6O/c1-2-6-4-14-9(17-6)5-13-8-3-7(11)15-10(12)16-8/h3-4H,2,5H2,1H3,(H5,11,12,13,15,16)
InChIKeyHJGASZXBAJJKDV-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.80
Rot. Bonds4

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

4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine (PubChem CID 106378379) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine
PubChem CID106378379
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCCc1cnc(CNc2cc(N)nc(N)n2)o1
InChIInChI=1S/C10H14N6O/c1-2-6-4-14-9(17-6)5-13-8-3-7(11)15-10(12)16-8/h3-4H,2,5H2,1H3,(H5,11,12,13,15,16)
InChIKeyHJGASZXBAJJKDV-UHFFFAOYSA-N
XLogP0.80
TPSA115.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114181084
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114181079
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 106378527
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
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106378503
6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106375419
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898455
5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine
CID 106369478
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
1-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 114179972
3,5-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106378952

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine (CID 106378379) is 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine is CCc1cnc(CNc2cc(N)nc(N)n2)o1.
What is the InChIKey of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine?
The InChIKey is HJGASZXBAJJKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-2-6-4-14-9(17-6)5-13-8-3-7(11)15-10(12)16-8/h3-4H,2,5H2,1H3,(H5,11,12,13,15,16).
What are the key properties of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine?
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine has a molecular weight of 234.26 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 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]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 106378379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).