6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

C15H24N4O — CID 126444749

IUPAC6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESc1nc(NCCCN2CCCC2)cc([C@@H]2CCOC2)n1
InChIInChI=1S/C15H24N4O/c1-2-7-19(6-1)8-3-5-16-15-10-14(17-12-18-15)13-4-9-20-11-13/h10,12-13H,1-9,11H2,(H,16,17,18)/t13-/m1/s1
InChIKeySKAHHTWGJRMQOH-CYBMUJFWSA-N
MW276.38 g/mol
LogP1.88
Rot. Bonds6

About 6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (PubChem CID 126444749) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
PubChem CID126444749
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESc1nc(NCCCN2CCCC2)cc([C@@H]2CCOC2)n1
InChIInChI=1S/C15H24N4O/c1-2-7-19(6-1)8-3-5-16-15-10-14(17-12-18-15)13-4-9-20-11-13/h10,12-13H,1-9,11H2,(H,16,17,18)/t13-/m1/s1
InChIKeySKAHHTWGJRMQOH-CYBMUJFWSA-N
XLogP1.88
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 126848768
6-(3-aminocyclobutyl)-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 91796687
2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 119070768
2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 126848755
4-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]butanoic acid
CID 118770776
6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine
CID 126447609
4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126423060
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126427543
N-[3-(azepan-1-yl)propyl]-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126444002
N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125170663
N'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine
CID 119074868
1-[4-[(3S)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylbutylamino)pyrimidin-2-yl]azetidin-3-ol
CID 126438720

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (CID 126444749) is 6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is c1nc(NCCCN2CCCC2)cc([C@@H]2CCOC2)n1.
What is the InChIKey of 6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The InChIKey is SKAHHTWGJRMQOH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-7-19(6-1)8-3-5-16-15-10-14(17-12-18-15)13-4-9-20-11-13/h10,12-13H,1-9,11H2,(H,16,17,18)/t13-/m1/s1.
What are the key properties of 6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine has a molecular weight of 276.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 126444749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).