4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine

C12H19N5O — CID 76709052

IUPAC4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine
SMILESNC1CCN(c2ccnc(NC3CCOC3)n2)C1
InChIInChI=1S/C12H19N5O/c13-9-2-5-17(7-9)11-1-4-14-12(16-11)15-10-3-6-18-8-10/h1,4,9-10H,2-3,5-8,13H2,(H,14,15,16)
InChIKeyAKIGRHATLPZWFK-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.21
Rot. Bonds3

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

4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine (PubChem CID 76709052) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine
PubChem CID76709052
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine
SMILESNC1CCN(c2ccnc(NC3CCOC3)n2)C1
InChIInChI=1S/C12H19N5O/c13-9-2-5-17(7-9)11-1-4-14-12(16-11)15-10-3-6-18-8-10/h1,4,9-10H,2-3,5-8,13H2,(H,14,15,16)
InChIKeyAKIGRHATLPZWFK-UHFFFAOYSA-N
XLogP0.21
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine
CID 76709122
4-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-bicyclo[4.2.0]octanyl)pyrimidin-2-amine
CID 90160188
4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine
CID 129086091
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171996646
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-amine
CID 71643947
N-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 175803601
4-(azepan-1-yl)-N-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-2-amine
CID 10428560
4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 171340440
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155525278

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine (CID 76709052) is 4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine is NC1CCN(c2ccnc(NC3CCOC3)n2)C1.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine?
The InChIKey is AKIGRHATLPZWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c13-9-2-5-17(7-9)11-1-4-14-12(16-11)15-10-3-6-18-8-10/h1,4,9-10H,2-3,5-8,13H2,(H,14,15,16).
What are the key properties of 4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine?
4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine has a molecular weight of 249.32 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 76709052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).