4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine

C12H19N5 — CID 76709122

IUPAC4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine
SMILESNC1CCN(c2ccnc(NC3CCC3)n2)C1
InChIInChI=1S/C12H19N5/c13-9-5-7-17(8-9)11-4-6-14-12(16-11)15-10-2-1-3-10/h4,6,9-10H,1-3,5,7-8,13H2,(H,14,15,16)
InChIKeyUFCNHUUQPKRLHV-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.98
Rot. Bonds3

About 4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine

4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine (PubChem CID 76709122) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine
PubChem CID76709122
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine
SMILESNC1CCN(c2ccnc(NC3CCC3)n2)C1
InChIInChI=1S/C12H19N5/c13-9-5-7-17(8-9)11-4-6-14-12(16-11)15-10-2-1-3-10/h4,6,9-10H,1-3,5,7-8,13H2,(H,14,15,16)
InChIKeyUFCNHUUQPKRLHV-UHFFFAOYSA-N
XLogP0.98
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-bicyclo[4.2.0]octanyl)pyrimidin-2-amine
CID 90160188
4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine
CID 76709052
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-amine
CID 71643947
N-[1-(4-aminocyclohexyl)piperidin-3-yl]-4-(azepan-1-yl)pyrimidin-2-amine
CID 66904457
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155525278
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine
CID 66904387
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine (CID 76709122) is 4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine is NC1CCN(c2ccnc(NC3CCC3)n2)C1.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine?
The InChIKey is UFCNHUUQPKRLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c13-9-5-7-17(8-9)11-4-6-14-12(16-11)15-10-2-1-3-10/h4,6,9-10H,1-3,5,7-8,13H2,(H,14,15,16).
What are the key properties of 4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine?
4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine has a molecular weight of 233.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine is sourced from PubChem (CID 76709122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).