N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

C11H18N4O — CID 61253199

IUPACN-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESc1cc(NCCCN2CCOCC2)ncn1
InChIInChI=1S/C11H18N4O/c1(5-15-6-8-16-9-7-15)3-13-11-2-4-12-10-14-11/h2,4,10H,1,3,5-9H2,(H,12,13,14)
InChIKeyOUANBMIJEPRNHR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.61
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (PubChem CID 61253199) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
PubChem CID61253199
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESc1cc(NCCCN2CCOCC2)ncn1
InChIInChI=1S/C11H18N4O/c1(5-15-6-8-16-9-7-15)3-13-11-2-4-12-10-14-11/h2,4,10H,1,3,5-9H2,(H,12,13,14)
InChIKeyOUANBMIJEPRNHR-UHFFFAOYSA-N
XLogP0.61
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.61
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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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (CID 61253199) is N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is c1cc(NCCCN2CCOCC2)ncn1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The InChIKey is OUANBMIJEPRNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1(5-15-6-8-16-9-7-15)3-13-11-2-4-12-10-14-11/h2,4,10H,1,3,5-9H2,(H,12,13,14).
What are the key properties of N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine has a molecular weight of 222.29 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 61253199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).