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

C11H15N5O2 — CID 113401566

IUPAC2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCOCc1nc(N)cc(NCc2ccon2)n1
InChIInChI=1S/C11H15N5O2/c1-2-17-7-11-14-9(12)5-10(15-11)13-6-8-3-4-18-16-8/h3-5H,2,6-7H2,1H3,(H3,12,13,14,15)
InChIKeyKOTUICFMMKQNCR-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.20
Rot. Bonds6

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

2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 113401566) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID113401566
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCOCc1nc(N)cc(NCc2ccon2)n1
InChIInChI=1S/C11H15N5O2/c1-2-17-7-11-14-9(12)5-10(15-11)13-6-8-3-4-18-16-8/h3-5H,2,6-7H2,1H3,(H3,12,13,14,15)
InChIKeyKOTUICFMMKQNCR-UHFFFAOYSA-N
XLogP1.20
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81173601
2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine
CID 114174651
6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81174173
3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide
CID 113401379
4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine
CID 113401294
2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine
CID 114112730
1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159530
2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81173604
6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 81174099
6-ethoxy-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 81177364
2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine
CID 81170070
2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 133402820

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine (CID 113401566) is 2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine is CCOCc1nc(N)cc(NCc2ccon2)n1.
What is the InChIKey of 2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is KOTUICFMMKQNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-2-17-7-11-14-9(12)5-10(15-11)13-6-8-3-4-18-16-8/h3-5H,2,6-7H2,1H3,(H3,12,13,14,15).
What are the key properties of 2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine?
2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 249.27 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 113401566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).