1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine

C14H20N6 — CID 56909758

IUPAC1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine
SMILESCn1ncc2c(N3CC(N)C3)nc(C3CCCC3)nc21
InChIInChI=1S/C14H20N6/c1-19-13-11(6-16-19)14(20-7-10(15)8-20)18-12(17-13)9-4-2-3-5-9/h6,9-10H,2-5,7-8,15H2,1H3
InChIKeyDJUMWIAVRXNFBJ-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.17
Rot. Bonds2

About 1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine

1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine (PubChem CID 56909758) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine.

Molecular Properties

Compound Name1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine
PubChem CID56909758
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine
SMILESCn1ncc2c(N3CC(N)C3)nc(C3CCCC3)nc21
InChIInChI=1S/C14H20N6/c1-19-13-11(6-16-19)14(20-7-10(15)8-20)18-12(17-13)9-4-2-3-5-9/h6,9-10H,2-5,7-8,15H2,1H3
InChIKeyDJUMWIAVRXNFBJ-UHFFFAOYSA-N
XLogP1.17
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CID 56899488
1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one
CID 70758882
(9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 95717674
6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56889372
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 154882886
(2S,6R)-4-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 56899248
2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine
CID 95718016
N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 56910169
6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171989089
6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70737816
6-cyclopentyl-N-(2-ethylsulfonylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56902966
(2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine
CID 95729990

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine?
The IUPAC name of 1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine (CID 56909758) is 1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine.
What is the SMILES notation for 1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine?
The canonical SMILES for 1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine is Cn1ncc2c(N3CC(N)C3)nc(C3CCCC3)nc21.
What is the InChIKey of 1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine?
The InChIKey is DJUMWIAVRXNFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-19-13-11(6-16-19)14(20-7-10(15)8-20)18-12(17-13)9-4-2-3-5-9/h6,9-10H,2-5,7-8,15H2,1H3.
What are the key properties of 1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine?
1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine has a molecular weight of 272.36 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine is sourced from PubChem (CID 56909758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).