2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine

C13H17N5O — CID 81173604

IUPAC2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccon2)nc(C2CC2)n1
InChIInChI=1S/C13H17N5O/c1-2-14-11-7-12(15-8-10-5-6-19-18-10)17-13(16-11)9-3-4-9/h5-7,9H,2-4,8H2,1H3,(H2,14,15,16,17)
InChIKeyIGHJYMXLEUQHGF-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.39
Rot. Bonds6

About 2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine

2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 81173604) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID81173604
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccon2)nc(C2CC2)n1
InChIInChI=1S/C13H17N5O/c1-2-14-11-7-12(15-8-10-5-6-19-18-10)17-13(16-11)9-3-4-9/h5-7,9H,2-4,8H2,1H3,(H2,14,15,16,17)
InChIKeyIGHJYMXLEUQHGF-UHFFFAOYSA-N
XLogP2.39
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-cyclopropyl-5-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 81177397
5-fluoro-N~2~-(isoxazol-3-ylmethyl)-N~2~,N~4~,N~4~-trimethylpyrimidine-2,4-diamine
CID 72939916
6-N-(cyclopropylmethyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 75399639
5-{[(isoxazol-3-ylmethyl)(methyl)amino]methyl}-N-propylpyrimidin-2-amine
CID 77096379
4,6-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine
CID 136575163
5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 81173369
5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
CID 81173686
5-fluoro-2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
CID 81174014
2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
CID 81174335
5-fluoro-2-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 81174414
2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 81178030
5-fluoro-6-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 103721482

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine (CID 81173604) is 2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine is CCNc1cc(NCc2ccon2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is IGHJYMXLEUQHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-14-11-7-12(15-8-10-5-6-19-18-10)17-13(16-11)9-3-4-9/h5-7,9H,2-4,8H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 259.31 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 81173604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).