4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine

C14H15Cl2N3 — CID 141038909

IUPAC4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine
SMILESCC1=CC(c2cccc(Cl)c2Cl)N2CCCN=C2N1
InChIInChI=1S/C14H15Cl2N3/c1-9-8-12(10-4-2-5-11(15)13(10)16)19-7-3-6-17-14(19)18-9/h2,4-5,8,12H,3,6-7H2,1H3,(H,17,18)
InChIKeyNWEKONSNADSPIO-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.60
Rot. Bonds1

About 4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine

4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine (PubChem CID 141038909) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine
PubChem CID141038909
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine
SMILESCC1=CC(c2cccc(Cl)c2Cl)N2CCCN=C2N1
InChIInChI=1S/C14H15Cl2N3/c1-9-8-12(10-4-2-5-11(15)13(10)16)19-7-3-6-17-14(19)18-9/h2,4-5,8,12H,3,6-7H2,1H3,(H,17,18)
InChIKeyNWEKONSNADSPIO-UHFFFAOYSA-N
XLogP3.60
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane
CID 20975324
7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 135843723
7-(2,3-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3527814
2-(2,3-dichlorophenyl)-1-methoxypiperidine
CID 118879007
3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine
CID 20507165
(2,3-dichlorophenyl)cycloheptane
CID 166869288
3-(2,3-dichlorophenyl)piperidine
CID 24904244
4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(3H-1,2,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid
CID 70406896
4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid
CID 53426134
ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate
CID 82363645
[7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 91501772
1-[5-acetyl-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone
CID 163827025

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine (CID 141038909) is 4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine is CC1=CC(c2cccc(Cl)c2Cl)N2CCCN=C2N1.
What is the InChIKey of 4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine?
The InChIKey is NWEKONSNADSPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-9-8-12(10-4-2-5-11(15)13(10)16)19-7-3-6-17-14(19)18-9/h2,4-5,8,12H,3,6-7H2,1H3,(H,17,18).
What are the key properties of 4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine?
4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine has a molecular weight of 296.20 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 141038909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).