N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine

C11H18N4O — CID 126848768

IUPACN'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine
SMILESNCCCNc1cc(C2CCOC2)ncn1
InChIInChI=1S/C11H18N4O/c12-3-1-4-13-11-6-10(14-8-15-11)9-2-5-16-7-9/h6,8-9H,1-5,7,12H2,(H,13,14,15)
InChIKeyRRWSWQUXRSPGEL-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.74
Rot. Bonds5

About N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine

N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine (PubChem CID 126848768) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine
PubChem CID126848768
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine
SMILESNCCCNc1cc(C2CCOC2)ncn1
InChIInChI=1S/C11H18N4O/c12-3-1-4-13-11-6-10(14-8-15-11)9-2-5-16-7-9/h6,8-9H,1-5,7,12H2,(H,13,14,15)
InChIKeyRRWSWQUXRSPGEL-UHFFFAOYSA-N
XLogP0.74
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 126444749
N'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine
CID 119074868
N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126444261
N-(3-methyl-4-pyridinyl)-N'-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 126452694
N-[2-(4-fluorophenoxy)ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119067292
N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126453717
6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 125175212
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126427543
N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125170663

Frequently Asked Questions

What is the IUPAC name of N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine?
The IUPAC name of N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine (CID 126848768) is N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine?
The canonical SMILES for N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine is NCCCNc1cc(C2CCOC2)ncn1.
What is the InChIKey of N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine?
The InChIKey is RRWSWQUXRSPGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-3-1-4-13-11-6-10(14-8-15-11)9-2-5-16-7-9/h6,8-9H,1-5,7,12H2,(H,13,14,15).
What are the key properties of N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine?
N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine has a molecular weight of 222.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 126848768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).