2-(6-chloro-3-pyridinyl)-5,6-dihydropyrimido[4,5-f]quinazoline

C15H10ClN5 — CID 54540965

IUPAC2-(6-chloro-3-pyridinyl)-5,6-dihydropyrimido[4,5-f]quinazoline
SMILESClc1ccc(-c2ncc3c(n2)-c2cncnc2CC3)cn1
InChIInChI=1S/C15H10ClN5/c16-13-4-2-10(6-18-13)15-19-5-9-1-3-12-11(14(9)21-15)7-17-8-20-12/h2,4-8H,1,3H2
InChIKeyZDECCOLHCQVKKL-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.75
Rot. Bonds1

About 2-(6-chloro-3-pyridinyl)-5,6-dihydropyrimido[4,5-f]quinazoline

2-(6-chloro-3-pyridinyl)-5,6-dihydropyrimido[4,5-f]quinazoline (PubChem CID 54540965) has the molecular formula C15H10ClN5 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-5,6-dihydropyrimido[4,5-f]quinazoline.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-5,6-dihydropyrimido[4,5-f]quinazoline
PubChem CID54540965
Molecular FormulaC15H10ClN5
Molecular Weight295.73 g/mol
Exact Mass295.06
IUPAC Name2-(6-chloro-3-pyridinyl)-5,6-dihydropyrimido[4,5-f]quinazoline
SMILESClc1ccc(-c2ncc3c(n2)-c2cncnc2CC3)cn1
InChIInChI=1S/C15H10ClN5/c16-13-4-2-10(6-18-13)15-19-5-9-1-3-12-11(14(9)21-15)7-17-8-20-12/h2,4-8H,1,3H2
InChIKeyZDECCOLHCQVKKL-UHFFFAOYSA-N
XLogP2.75
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline
CID 57251224
8-methylsulfanyl-2-pyridin-3-yl-5,6-dihydropyrimido[4,5-f]quinazoline
CID 54352257
2-(6-methyl-1-oxidopyridin-1-ium-3-yl)-5,6-dihydropyrimido[4,5-f]quinazolin-8-amine
CID 54031145
2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline
CID 123894743
2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one
CID 83891684
6-(4-fluorophenyl)-4-propan-2-yl-3,12,14-triazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-5-carbaldehyde
CID 58992889
8-chloro-2-(4-chlorophenyl)-5H-thiochromeno[4,3-d]pyrimidine
CID 122193536
4-pyridin-3-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-13-amine
CID 59738015
2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine
CID 126673733
5,6-dihydropyrido[3,2-h]quinazoline
CID 15783775
4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine
CID 105371530
6-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913048

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-5,6-dihydropyrimido[4,5-f]quinazoline?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-5,6-dihydropyrimido[4,5-f]quinazoline (CID 54540965) is 2-(6-chloro-3-pyridinyl)-5,6-dihydropyrimido[4,5-f]quinazoline.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-5,6-dihydropyrimido[4,5-f]quinazoline?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-5,6-dihydropyrimido[4,5-f]quinazoline is Clc1ccc(-c2ncc3c(n2)-c2cncnc2CC3)cn1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-5,6-dihydropyrimido[4,5-f]quinazoline?
The InChIKey is ZDECCOLHCQVKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5/c16-13-4-2-10(6-18-13)15-19-5-9-1-3-12-11(14(9)21-15)7-17-8-20-12/h2,4-8H,1,3H2.
What are the key properties of 2-(6-chloro-3-pyridinyl)-5,6-dihydropyrimido[4,5-f]quinazoline?
2-(6-chloro-3-pyridinyl)-5,6-dihydropyrimido[4,5-f]quinazoline has a molecular weight of 295.73 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-5,6-dihydropyrimido[4,5-f]quinazoline is sourced from PubChem (CID 54540965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).