5-(1,2-Dihydropyridin-2-yl)-1,2-dihydropyrimidine

C9H11N3 — CID 124191614

IUPAC5-(1,2-dihydropyridin-2-yl)-1,2-dihydropyrimidine
SMILESC1NC=C(C=N1)C2C=CC=CN2
InChIInChI=1S/C9H11N3/c1-2-4-12-9(3-1)8-5-10-7-11-6-8/h1-6,9-10,12H,7H2
InChIKeyONIYBDDUQLYRSS-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.70
Rot. Bonds1

About 5-(1,2-Dihydropyridin-2-yl)-1,2-dihydropyrimidine

5-(1,2-Dihydropyridin-2-yl)-1,2-dihydropyrimidine (PubChem CID 124191614) has the molecular formula C9H11N3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-(1,2-dihydropyridin-2-yl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name5-(1,2-Dihydropyridin-2-yl)-1,2-dihydropyrimidine
PubChem CID124191614
Molecular FormulaC9H11N3
Molecular Weight161.20 g/mol
Exact Mass161.10
IUPAC Name5-(1,2-dihydropyridin-2-yl)-1,2-dihydropyrimidine
SMILESC1NC=C(C=N1)C2C=CC=CN2
InChIInChI=1S/C9H11N3/c1-2-4-12-9(3-1)8-5-10-7-11-6-8/h1-6,9-10,12H,7H2
InChIKeyONIYBDDUQLYRSS-UHFFFAOYSA-N
XLogP0.70
TPSA36.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity273

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,8a-Dihydro-1,8-naphthyridine
CID 18988805
6,8a-Dihydro-1,6-naphthyridine
CID 19103929
2,7a-dihydro-1H-cyclopenta[d]pyrimidine
CID 21891858
2,3-Dihydro-2,7-naphthyridine
CID 57034641
2,3-Dihydro-2,6-naphthyridine
CID 57195549
5-[(E,4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one
CID 60054993
5-Methyl-6,8a-dihydro-1,6-naphthyridine
CID 67593832
5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one
CID 68596878
5-[4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one
CID 68596881
2-(2,5-Dihydropyridin-4-yl)-1,2-dihydropyridine
CID 68653775
6H-pyrimido[4,5-d][2]benzazepine
CID 70499014
6H-pyrimido[5,4-d][2]benzazepine
CID 87425228

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-Dihydropyridin-2-yl)-1,2-dihydropyrimidine?
The IUPAC name of 5-(1,2-Dihydropyridin-2-yl)-1,2-dihydropyrimidine (CID 124191614) is 5-(1,2-dihydropyridin-2-yl)-1,2-dihydropyrimidine.
What is the SMILES notation for 5-(1,2-Dihydropyridin-2-yl)-1,2-dihydropyrimidine?
The canonical SMILES for 5-(1,2-Dihydropyridin-2-yl)-1,2-dihydropyrimidine is C1NC=C(C=N1)C2C=CC=CN2.
What is the InChIKey of 5-(1,2-Dihydropyridin-2-yl)-1,2-dihydropyrimidine?
The InChIKey is ONIYBDDUQLYRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-4-12-9(3-1)8-5-10-7-11-6-8/h1-6,9-10,12H,7H2.
What are the key properties of 5-(1,2-Dihydropyridin-2-yl)-1,2-dihydropyrimidine?
5-(1,2-Dihydropyridin-2-yl)-1,2-dihydropyrimidine has a molecular weight of 161.20 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-Dihydropyridin-2-yl)-1,2-dihydropyrimidine is sourced from PubChem (CID 124191614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).