6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine

C11H18ClN3O2 — CID 114943689

IUPAC6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine
SMILESCCOC(C)(C)CNc1ncnc(Cl)c1OC
InChIInChI=1S/C11H18ClN3O2/c1-5-17-11(2,3)6-13-10-8(16-4)9(12)14-7-15-10/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyPIWIXVHELARSKB-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.37
Rot. Bonds6

About 6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine

6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine (PubChem CID 114943689) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine
PubChem CID114943689
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine
SMILESCCOC(C)(C)CNc1ncnc(Cl)c1OC
InChIInChI=1S/C11H18ClN3O2/c1-5-17-11(2,3)6-13-10-8(16-4)9(12)14-7-15-10/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyPIWIXVHELARSKB-UHFFFAOYSA-N
XLogP2.37
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
CID 114944716
1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293481
6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine
CID 106330892
4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114944633
4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136999429
5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107318311
4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine
CID 114944680
4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 114944683
6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine
CID 107817622
6-chloro-5-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193149
[1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 115455244
6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
CID 114516488

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine (CID 114943689) is 6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine is CCOC(C)(C)CNc1ncnc(Cl)c1OC.
What is the InChIKey of 6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine?
The InChIKey is PIWIXVHELARSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-5-17-11(2,3)6-13-10-8(16-4)9(12)14-7-15-10/h7H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine?
6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine has a molecular weight of 259.74 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 114943689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).