4-cyclopropyl-6-[3-(3-methoxypropyl)piperidin-1-yl]pyrimidine

C16H25N3O — CID 70713706

IUPAC4-cyclopropyl-6-[3-(3-methoxypropyl)piperidin-1-yl]pyrimidine
SMILESCOCCCC1CCCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C16H25N3O/c1-20-9-3-5-13-4-2-8-19(11-13)16-10-15(14-6-7-14)17-12-18-16/h10,12-14H,2-9,11H2,1H3
InChIKeyWAMVAVIDGIQABZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.00
Rot. Bonds6

About 4-cyclopropyl-6-[3-(3-methoxypropyl)piperidin-1-yl]pyrimidine

4-cyclopropyl-6-[3-(3-methoxypropyl)piperidin-1-yl]pyrimidine (PubChem CID 70713706) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-cyclopropyl-6-[3-(3-methoxypropyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[3-(3-methoxypropyl)piperidin-1-yl]pyrimidine
PubChem CID70713706
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-cyclopropyl-6-[3-(3-methoxypropyl)piperidin-1-yl]pyrimidine
SMILESCOCCCC1CCCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C16H25N3O/c1-20-9-3-5-13-4-2-8-19(11-13)16-10-15(14-6-7-14)17-12-18-16/h10,12-14H,2-9,11H2,1H3
InChIKeyWAMVAVIDGIQABZ-UHFFFAOYSA-N
XLogP3.00
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-cyclopropyl-6-[3-(3-methoxypropyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-cyclopropyl-6-[3-(3-methoxypropyl)piperidin-1-yl]pyrimidine (CID 70713706) is 4-cyclopropyl-6-[3-(3-methoxypropyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[3-(3-methoxypropyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[3-(3-methoxypropyl)piperidin-1-yl]pyrimidine is COCCCC1CCCN(c2cc(C3CC3)ncn2)C1.
What is the InChIKey of 4-cyclopropyl-6-[3-(3-methoxypropyl)piperidin-1-yl]pyrimidine?
The InChIKey is WAMVAVIDGIQABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-20-9-3-5-13-4-2-8-19(11-13)16-10-15(14-6-7-14)17-12-18-16/h10,12-14H,2-9,11H2,1H3.
What are the key properties of 4-cyclopropyl-6-[3-(3-methoxypropyl)piperidin-1-yl]pyrimidine?
4-cyclopropyl-6-[3-(3-methoxypropyl)piperidin-1-yl]pyrimidine has a molecular weight of 275.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[3-(3-methoxypropyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 70713706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).