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

C10H17N5 — CID 155565634

IUPAC4-[3-(dimethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CC(N(C)C)C2)nc(N)n1
InChIInChI=1S/C10H17N5/c1-7-4-9(13-10(11)12-7)15-5-8(6-15)14(2)3/h4,8H,5-6H2,1-3H3,(H2,11,12,13)
InChIKeyRRZMWJGQCWUWHL-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.12
Rot. Bonds2

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

4-[3-(dimethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 155565634) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-[3-(dimethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID155565634
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name4-[3-(dimethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CC(N(C)C)C2)nc(N)n1
InChIInChI=1S/C10H17N5/c1-7-4-9(13-10(11)12-7)15-5-8(6-15)14(2)3/h4,8H,5-6H2,1-3H3,(H2,11,12,13)
InChIKeyRRZMWJGQCWUWHL-UHFFFAOYSA-N
XLogP0.12
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[3-(dimethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine (CID 155565634) is 4-[3-(dimethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(dimethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(dimethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2CC(N(C)C)C2)nc(N)n1.
What is the InChIKey of 4-[3-(dimethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is RRZMWJGQCWUWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-7-4-9(13-10(11)12-7)15-5-8(6-15)14(2)3/h4,8H,5-6H2,1-3H3,(H2,11,12,13).
What are the key properties of 4-[3-(dimethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine?
4-[3-(dimethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 207.28 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 155565634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).