(3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine

C11H18N2 — CID 126756946

IUPAC(3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine
SMILESCC1=N[C@@H](C)C(C)=C2CCCCN12
InChIInChI=1S/C11H18N2/c1-8-9(2)12-10(3)13-7-5-4-6-11(8)13/h9H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyVKJAOSHVHGPLBJ-VIFPVBQESA-N
MW178.28 g/mol
LogP2.57
Rot. Bonds

About (3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine

(3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine (PubChem CID 126756946) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine.

Molecular Properties

Compound Name(3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine
PubChem CID126756946
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine
SMILESCC1=N[C@@H](C)C(C)=C2CCCCN12
InChIInChI=1S/C11H18N2/c1-8-9(2)12-10(3)13-7-5-4-6-11(8)13/h9H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyVKJAOSHVHGPLBJ-VIFPVBQESA-N
XLogP2.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine?
The IUPAC name of (3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine (CID 126756946) is (3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine.
What is the SMILES notation for (3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine?
The canonical SMILES for (3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine is CC1=N[C@@H](C)C(C)=C2CCCCN12.
What is the InChIKey of (3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine?
The InChIKey is VKJAOSHVHGPLBJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2/c1-8-9(2)12-10(3)13-7-5-4-6-11(8)13/h9H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of (3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine?
(3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine has a molecular weight of 178.28 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine is sourced from PubChem (CID 126756946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).