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

C11H19N5 — CID 155528291

IUPAC4-[3-(dimethylamino)azetidin-1-yl]-6-ethylpyrimidin-2-amine
SMILESCCc1cc(N2CC(N(C)C)C2)nc(N)n1
InChIInChI=1S/C11H19N5/c1-4-8-5-10(14-11(12)13-8)16-6-9(7-16)15(2)3/h5,9H,4,6-7H2,1-3H3,(H2,12,13,14)
InChIKeyJUMMAYSLOXFFLQ-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.37
Rot. Bonds3

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

4-[3-(dimethylamino)azetidin-1-yl]-6-ethylpyrimidin-2-amine (PubChem CID 155528291) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-[3-(dimethylamino)azetidin-1-yl]-6-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)azetidin-1-yl]-6-ethylpyrimidin-2-amine
PubChem CID155528291
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-[3-(dimethylamino)azetidin-1-yl]-6-ethylpyrimidin-2-amine
SMILESCCc1cc(N2CC(N(C)C)C2)nc(N)n1
InChIInChI=1S/C11H19N5/c1-4-8-5-10(14-11(12)13-8)16-6-9(7-16)15(2)3/h5,9H,4,6-7H2,1-3H3,(H2,12,13,14)
InChIKeyJUMMAYSLOXFFLQ-UHFFFAOYSA-N
XLogP0.37
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Jnj-39758979
CID 24994634
4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 24797604
4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994542
4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 53257796
4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777341
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
4-t-Butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamine
CID 24797775
4-(3-Amino-azetidin-1-yl)-6-cyclopentyl-pyrimidin-2-ylamine
CID 24797956
4-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24992077
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635
4-Tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 25128826
4-Ethyl-6-[3-(methylamino)-1-azetidinyl]-2-pyrimidinamine
CID 42623567

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)azetidin-1-yl]-6-ethylpyrimidin-2-amine?
The IUPAC name of 4-[3-(dimethylamino)azetidin-1-yl]-6-ethylpyrimidin-2-amine (CID 155528291) is 4-[3-(dimethylamino)azetidin-1-yl]-6-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(dimethylamino)azetidin-1-yl]-6-ethylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(dimethylamino)azetidin-1-yl]-6-ethylpyrimidin-2-amine is CCc1cc(N2CC(N(C)C)C2)nc(N)n1.
What is the InChIKey of 4-[3-(dimethylamino)azetidin-1-yl]-6-ethylpyrimidin-2-amine?
The InChIKey is JUMMAYSLOXFFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-4-8-5-10(14-11(12)13-8)16-6-9(7-16)15(2)3/h5,9H,4,6-7H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-[3-(dimethylamino)azetidin-1-yl]-6-ethylpyrimidin-2-amine?
4-[3-(dimethylamino)azetidin-1-yl]-6-ethylpyrimidin-2-amine has a molecular weight of 221.31 g/mol, XLogP of 0.37, 3 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-ethylpyrimidin-2-amine is sourced from PubChem (CID 155528291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).