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

C9H11N5O — CID 79917521

IUPAC4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine
SMILESCc1cc(CNc2ncncc2N)no1
InChIInChI=1S/C9H11N5O/c1-6-2-7(14-15-6)3-12-9-8(10)4-11-5-13-9/h2,4-5H,3,10H2,1H3,(H,11,12,13)
InChIKeyXDAVBEWTBBQBES-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.97
Rot. Bonds3

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

4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine (PubChem CID 79917521) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine
PubChem CID79917521
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine
SMILESCc1cc(CNc2ncncc2N)no1
InChIInChI=1S/C9H11N5O/c1-6-2-7(14-15-6)3-12-9-8(10)4-11-5-13-9/h2,4-5H,3,10H2,1H3,(H,11,12,13)
InChIKeyXDAVBEWTBBQBES-UHFFFAOYSA-N
XLogP0.97
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine (CID 79917521) is 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine is Cc1cc(CNc2ncncc2N)no1.
What is the InChIKey of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine?
The InChIKey is XDAVBEWTBBQBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-6-2-7(14-15-6)3-12-9-8(10)4-11-5-13-9/h2,4-5H,3,10H2,1H3,(H,11,12,13).
What are the key properties of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine?
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine has a molecular weight of 205.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 79917521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).