2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine

C9H11N5O — CID 81174009

IUPAC2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(NCc2ccon2)n1
InChIInChI=1S/C9H11N5O/c1-10-9-11-4-2-8(13-9)12-6-7-3-5-15-14-7/h2-5H,6H2,1H3,(H2,10,11,12,13)
InChIKeyLBXALIANHFMFRQ-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.12
Rot. Bonds4

About 2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 81174009) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID81174009
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(NCc2ccon2)n1
InChIInChI=1S/C9H11N5O/c1-10-9-11-4-2-8(13-9)12-6-7-3-5-15-14-7/h2-5H,6H2,1H3,(H2,10,11,12,13)
InChIKeyLBXALIANHFMFRQ-UHFFFAOYSA-N
XLogP1.12
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
CID 79492291
2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845296
2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807957
4-methyl-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 80702925
4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 81173608
6-ethoxy-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 81177364
4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786750
6-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazin-2-amine
CID 130710877
5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine
CID 104844042
2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine
CID 81170070
4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine
CID 79493008
3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrazin-2-amine
CID 164648138

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine (CID 81174009) is 2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine is CNc1nccc(NCc2ccon2)n1.
What is the InChIKey of 2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is LBXALIANHFMFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-10-9-11-4-2-8(13-9)12-6-7-3-5-15-14-7/h2-5H,6H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 205.22 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 81174009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).