9-chloro-11-(cyclopropylmethyl)-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline

C21H22ClN3 — CID 23336391

IUPAC9-chloro-11-(cyclopropylmethyl)-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline
SMILESClc1ccc2c(c1)N(CC1CC1)C1=NCCCN1C2c1ccccc1
InChIInChI=1S/C21H22ClN3/c22-17-9-10-18-19(13-17)25(14-15-7-8-15)21-23-11-4-12-24(21)20(18)16-5-2-1-3-6-16/h1-3,5-6,9-10,13,15,20H,4,7-8,11-12,14H2
InChIKeyMTVYFLNIYVBKLV-UHFFFAOYSA-N
MW351.88 g/mol
LogP4.72
Rot. Bonds3

About 9-chloro-11-(cyclopropylmethyl)-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline

9-chloro-11-(cyclopropylmethyl)-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline (PubChem CID 23336391) has the molecular formula C21H22ClN3 and a molecular weight of 351.88 g/mol. Its IUPAC name is 9-chloro-11-(cyclopropylmethyl)-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline.

Molecular Properties

Compound Name9-chloro-11-(cyclopropylmethyl)-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline
PubChem CID23336391
Molecular FormulaC21H22ClN3
Molecular Weight351.88 g/mol
Exact Mass351.15
IUPAC Name9-chloro-11-(cyclopropylmethyl)-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline
SMILESClc1ccc2c(c1)N(CC1CC1)C1=NCCCN1C2c1ccccc1
InChIInChI=1S/C21H22ClN3/c22-17-9-10-18-19(13-17)25(14-15-7-8-15)21-23-11-4-12-24(21)20(18)16-5-2-1-3-6-16/h1-3,5-6,9-10,13,15,20H,4,7-8,11-12,14H2
InChIKeyMTVYFLNIYVBKLV-UHFFFAOYSA-N
XLogP4.72
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline
CID 23336432
8-chloro-10-pentyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline
CID 23336409
10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline
CID 23336443
7-chloro-1,10-diphenyl-2,4,5,10-tetrahydro-1H-imidazo[1,2-b][2]benzazepine
CID 67895396
2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane
CID 3089207
7-chloro-1-(cyclobutylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 154138660
CID 162408532
CID 162408532
10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 653244
8-chloro-5-phenyl-4,5-dihydrotetrazolo[1,5-a]quinazoline
CID 135737539
10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride
CID 53313935
2-(5-chloro-2-methylphenyl)-4-(cyclopentylmethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 155977370
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-phenyl-4,5,6,7-tetrahydro-1H-2,4-benzodiazonin-3-one
CID 175655307

Frequently Asked Questions

What is the IUPAC name of 9-chloro-11-(cyclopropylmethyl)-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline?
The IUPAC name of 9-chloro-11-(cyclopropylmethyl)-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline (CID 23336391) is 9-chloro-11-(cyclopropylmethyl)-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline.
What is the SMILES notation for 9-chloro-11-(cyclopropylmethyl)-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline?
The canonical SMILES for 9-chloro-11-(cyclopropylmethyl)-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline is Clc1ccc2c(c1)N(CC1CC1)C1=NCCCN1C2c1ccccc1.
What is the InChIKey of 9-chloro-11-(cyclopropylmethyl)-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline?
The InChIKey is MTVYFLNIYVBKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3/c22-17-9-10-18-19(13-17)25(14-15-7-8-15)21-23-11-4-12-24(21)20(18)16-5-2-1-3-6-16/h1-3,5-6,9-10,13,15,20H,4,7-8,11-12,14H2.
What are the key properties of 9-chloro-11-(cyclopropylmethyl)-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline?
9-chloro-11-(cyclopropylmethyl)-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline has a molecular weight of 351.88 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-11-(cyclopropylmethyl)-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline is sourced from PubChem (CID 23336391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).