2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine

C10H13N3 — CID 20718034

IUPAC2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine
SMILESCN1CC=C(c2ncccn2)CC1
InChIInChI=1S/C10H13N3/c1-13-7-3-9(4-8-13)10-11-5-2-6-12-10/h2-3,5-6H,4,7-8H2,1H3
InChIKeyLAIUHFVRTRLCNE-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.20
Rot. Bonds1

About 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine (PubChem CID 20718034) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine.

Molecular Properties

Compound Name2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine
PubChem CID20718034
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine
SMILESCN1CC=C(c2ncccn2)CC1
InChIInChI=1S/C10H13N3/c1-13-7-3-9(4-8-13)10-11-5-2-6-12-10/h2-3,5-6H,4,7-8H2,1H3
InChIKeyLAIUHFVRTRLCNE-UHFFFAOYSA-N
XLogP1.20
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine?
The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine (CID 20718034) is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine.
What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine?
The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine is CN1CC=C(c2ncccn2)CC1.
What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine?
The InChIKey is LAIUHFVRTRLCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-13-7-3-9(4-8-13)10-11-5-2-6-12-10/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine?
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine has a molecular weight of 175.24 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine is sourced from PubChem (CID 20718034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).