2-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrimidine

C9H13N3 — CID 142529726

IUPAC2-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrimidine
SMILESC1=CNC(C2=CCNCC2)=NC1
InChIInChI=1S/C9H13N3/c1-4-11-9(12-5-1)8-2-6-10-7-3-8/h1-2,4,10H,3,5-7H2,(H,11,12)
InChIKeyPUOKQJBGOYYNBI-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.42
Rot. Bonds1

About 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrimidine

2-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrimidine (PubChem CID 142529726) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrimidine
PubChem CID142529726
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrimidine
SMILESC1=CNC(C2=CCNCC2)=NC1
InChIInChI=1S/C9H13N3/c1-4-11-9(12-5-1)8-2-6-10-7-3-8/h1-2,4,10H,3,5-7H2,(H,11,12)
InChIKeyPUOKQJBGOYYNBI-UHFFFAOYSA-N
XLogP0.42
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 88909184
N-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide
CID 166762632
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
1,4,4a,7-Tetrahydro-1,8-naphthyridine
CID 91040809
(5Z)-N-ethenyl-5-ethylidene-3,4-dihydro-2H-pyridin-6-amine
CID 91246509
(4Z)-N-ethenyl-4-ethylidene-2,3-dihydropyrrol-5-amine
CID 123900638
N-ethenyl-5-ethyl-2,3-dihydropyridin-6-amine
CID 123914489
(3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine
CID 126659319
Ethane;2-(1,2,3,6-tetrahydropyridin-5-yl)-1,4-dihydropyrimidine
CID 141848392
ethene;3-methyl-2-(1,2,3,6-tetrahydropyridin-5-yl)-4H-pyrimidine
CID 141937907
(2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide
CID 142471487
ethane;(5Z)-N-ethenyl-5-ethylidene-3,4-dihydro-2H-pyridin-6-amine
CID 143320826

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrimidine?
The IUPAC name of 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrimidine (CID 142529726) is 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrimidine.
What is the SMILES notation for 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrimidine?
The canonical SMILES for 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrimidine is C1=CNC(C2=CCNCC2)=NC1.
What is the InChIKey of 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrimidine?
The InChIKey is PUOKQJBGOYYNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-11-9(12-5-1)8-2-6-10-7-3-8/h1-2,4,10H,3,5-7H2,(H,11,12).
What are the key properties of 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrimidine?
2-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrimidine has a molecular weight of 163.22 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrimidine is sourced from PubChem (CID 142529726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).