9-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine

C11H20N2 — CID 141370148

IUPAC9-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
SMILESCC(C)C1CCCN2CCCN=C12
InChIInChI=1S/C11H20N2/c1-9(2)10-5-3-7-13-8-4-6-12-11(10)13/h9-10H,3-8H2,1-2H3
InChIKeyFKVFVOIMTXDCKJ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.16
Rot. Bonds1

About 9-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine

9-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine (PubChem CID 141370148) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 9-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name9-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
PubChem CID141370148
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name9-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
SMILESCC(C)C1CCCN2CCCN=C12
InChIInChI=1S/C11H20N2/c1-9(2)10-5-3-7-13-8-4-6-12-11(10)13/h9-10H,3-8H2,1-2H3
InChIKeyFKVFVOIMTXDCKJ-UHFFFAOYSA-N
XLogP2.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 9-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine (CID 141370148) is 9-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 9-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 9-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine is CC(C)C1CCCN2CCCN=C12.
What is the InChIKey of 9-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The InChIKey is FKVFVOIMTXDCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)10-5-3-7-13-8-4-6-12-11(10)13/h9-10H,3-8H2,1-2H3.
What are the key properties of 9-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
9-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine has a molecular weight of 180.29 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 141370148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).