4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine

C13H21N5O — CID 58227346

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine
SMILESN[C@@H]1CCN(c2ccnc(NC3CCOCC3)n2)C1
InChIInChI=1S/C13H21N5O/c14-10-2-6-18(9-10)12-1-5-15-13(17-12)16-11-3-7-19-8-4-11/h1,5,10-11H,2-4,6-9,14H2,(H,15,16,17)/t10-/m1/s1
InChIKeyFFQSJNCCHVEUDV-SNVBAGLBSA-N
MW263.34 g/mol
LogP0.60
Rot. Bonds3

About 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine

4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine (PubChem CID 58227346) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine
PubChem CID58227346
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine
SMILESN[C@@H]1CCN(c2ccnc(NC3CCOCC3)n2)C1
InChIInChI=1S/C13H21N5O/c14-10-2-6-18(9-10)12-1-5-15-13(17-12)16-11-3-7-19-8-4-11/h1,5,10-11H,2-4,6-9,14H2,(H,15,16,17)/t10-/m1/s1
InChIKeyFFQSJNCCHVEUDV-SNVBAGLBSA-N
XLogP0.60
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227085
N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227127
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 58227157
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227255
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227319
N-butyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227326
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 118725542
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine
CID 155513612
4-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 49857010

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine (CID 58227346) is 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine is N[C@@H]1CCN(c2ccnc(NC3CCOCC3)n2)C1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine?
The InChIKey is FFQSJNCCHVEUDV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N5O/c14-10-2-6-18(9-10)12-1-5-15-13(17-12)16-11-3-7-19-8-4-11/h1,5,10-11H,2-4,6-9,14H2,(H,15,16,17)/t10-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine?
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 58227346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).