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

C12H21N5 — CID 155541911

IUPAC4-[3-(dimethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(N2CC(N(C)C)C2)nc(N)n1
InChIInChI=1S/C12H21N5/c1-8(2)10-5-11(15-12(13)14-10)17-6-9(7-17)16(3)4/h5,8-9H,6-7H2,1-4H3,(H2,13,14,15)
InChIKeyYPBPWSIJZRPMHU-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.93
Rot. Bonds3

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

4-[3-(dimethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine (PubChem CID 155541911) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[3-(dimethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
PubChem CID155541911
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-[3-(dimethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(N2CC(N(C)C)C2)nc(N)n1
InChIInChI=1S/C12H21N5/c1-8(2)10-5-11(15-12(13)14-10)17-6-9(7-17)16(3)4/h5,8-9H,6-7H2,1-4H3,(H2,13,14,15)
InChIKeyYPBPWSIJZRPMHU-UHFFFAOYSA-N
XLogP0.93
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.93
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-(piperazin-1-yl)-pyrimidin-2-ylamine
CID 24798144
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-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 59777338
4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777341
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-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 24994630
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[3-(dimethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine (CID 155541911) is 4-[3-(dimethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(dimethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(dimethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine is CC(C)c1cc(N2CC(N(C)C)C2)nc(N)n1.
What is the InChIKey of 4-[3-(dimethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is YPBPWSIJZRPMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-8(2)10-5-11(15-12(13)14-10)17-6-9(7-17)16(3)4/h5,8-9H,6-7H2,1-4H3,(H2,13,14,15).
What are the key properties of 4-[3-(dimethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
4-[3-(dimethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 0.93, 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-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 155541911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).