4-(6-chloro-3-pyridinyl)-2-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]pyrimidine

C19H16ClN3O2 — CID 157294267

IUPAC4-(6-chloro-3-pyridinyl)-2-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]pyrimidine
SMILESClc1ccc(-c2ccnc(Cc3cccc(C4OCCO4)c3)n2)cn1
InChIInChI=1S/C19H16ClN3O2/c20-17-5-4-15(12-22-17)16-6-7-21-18(23-16)11-13-2-1-3-14(10-13)19-24-8-9-25-19/h1-7,10,12,19H,8-9,11H2
InChIKeyBBDUMUVNKJQKKN-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.83
Rot. Bonds4

About 4-(6-chloro-3-pyridinyl)-2-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]pyrimidine

4-(6-chloro-3-pyridinyl)-2-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]pyrimidine (PubChem CID 157294267) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-(6-chloro-3-pyridinyl)-2-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]pyrimidine.

Molecular Properties

Compound Name4-(6-chloro-3-pyridinyl)-2-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]pyrimidine
PubChem CID157294267
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name4-(6-chloro-3-pyridinyl)-2-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]pyrimidine
SMILESClc1ccc(-c2ccnc(Cc3cccc(C4OCCO4)c3)n2)cn1
InChIInChI=1S/C19H16ClN3O2/c20-17-5-4-15(12-22-17)16-6-7-21-18(23-16)11-13-2-1-3-14(10-13)19-24-8-9-25-19/h1-7,10,12,19H,8-9,11H2
InChIKeyBBDUMUVNKJQKKN-UHFFFAOYSA-N
XLogP3.83
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.83
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

4-(4-Chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine
CID 102444240
4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine
CID 141340200
4-[2-(4-Chlorophenyl)ethyl]-5-fluoro-2-(pyridin-2-ylmethoxy)pyrimidine
CID 148649359
N-[[2-chloro-3-(1,3-dioxolan-2-yl)-6-fluorophenyl]methyl]-N-methyl-1-(2-propan-2-ylpyrimidin-5-yl)methanamine
CID 139013586
5-[(6-Methyl-3-pyridinyl)methyl]-2-phenylmethoxypyrimidine
CID 20523390
2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 56956272
4-[6-[(2-Chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
CID 58137240
2-[4-(1,3-Dioxolan-2-yl)phenyl]-3-phenyl-1,8-naphthyridine
CID 58524245
4-[4-(1,3-Dioxolan-2-yl)phenyl]-5-phenylpyrimidine-2-carbonitrile
CID 67343830
4-Non-5-enyl-2-[4-[1-(oxan-2-yloxy)heptyl]phenyl]pyrimidine
CID 67626468
1-[5-Chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one
CID 67777140
1-[5-Chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one
CID 67777458

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3-pyridinyl)-2-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]pyrimidine?
The IUPAC name of 4-(6-chloro-3-pyridinyl)-2-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]pyrimidine (CID 157294267) is 4-(6-chloro-3-pyridinyl)-2-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]pyrimidine.
What is the SMILES notation for 4-(6-chloro-3-pyridinyl)-2-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]pyrimidine?
The canonical SMILES for 4-(6-chloro-3-pyridinyl)-2-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]pyrimidine is Clc1ccc(-c2ccnc(Cc3cccc(C4OCCO4)c3)n2)cn1.
What is the InChIKey of 4-(6-chloro-3-pyridinyl)-2-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]pyrimidine?
The InChIKey is BBDUMUVNKJQKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-17-5-4-15(12-22-17)16-6-7-21-18(23-16)11-13-2-1-3-14(10-13)19-24-8-9-25-19/h1-7,10,12,19H,8-9,11H2.
What are the key properties of 4-(6-chloro-3-pyridinyl)-2-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]pyrimidine?
4-(6-chloro-3-pyridinyl)-2-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]pyrimidine has a molecular weight of 353.81 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3-pyridinyl)-2-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]pyrimidine is sourced from PubChem (CID 157294267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).