4-[3-(ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine

C10H17N5 — CID 155533940

IUPAC4-[3-(ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCCNC1CN(c2cc(C)nc(N)n2)C1
InChIInChI=1S/C10H17N5/c1-3-12-8-5-15(6-8)9-4-7(2)13-10(11)14-9/h4,8,12H,3,5-6H2,1-2H3,(H2,11,13,14)
InChIKeyHEEQXUYKJHWCAH-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.17
Rot. Bonds3

About 4-[3-(ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine

4-[3-(ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 155533940) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-[3-(ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID155533940
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name4-[3-(ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCCNC1CN(c2cc(C)nc(N)n2)C1
InChIInChI=1S/C10H17N5/c1-3-12-8-5-15(6-8)9-4-7(2)13-10(11)14-9/h4,8,12H,3,5-6H2,1-2H3,(H2,11,13,14)
InChIKeyHEEQXUYKJHWCAH-UHFFFAOYSA-N
XLogP0.17
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[3-(ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine (CID 155533940) is 4-[3-(ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine is CCNC1CN(c2cc(C)nc(N)n2)C1.
What is the InChIKey of 4-[3-(ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is HEEQXUYKJHWCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-3-12-8-5-15(6-8)9-4-7(2)13-10(11)14-9/h4,8,12H,3,5-6H2,1-2H3,(H2,11,13,14).
What are the key properties of 4-[3-(ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine?
4-[3-(ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 207.28 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 155533940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).