4,6-dimethoxy-2-(3-pyridin-3-ylpropyl)pyrimidine

C14H17N3O2 — CID 72885593

IUPAC4,6-dimethoxy-2-(3-pyridin-3-ylpropyl)pyrimidine
SMILESCOc1cc(OC)nc(CCCc2cccnc2)n1
InChIInChI=1S/C14H17N3O2/c1-18-13-9-14(19-2)17-12(16-13)7-3-5-11-6-4-8-15-10-11/h4,6,8-10H,3,5,7H2,1-2H3
InChIKeyHOSBVTRMWZAXCC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.06
Rot. Bonds6

About 4,6-dimethoxy-2-(3-pyridin-3-ylpropyl)pyrimidine

4,6-dimethoxy-2-(3-pyridin-3-ylpropyl)pyrimidine (PubChem CID 72885593) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4,6-dimethoxy-2-(3-pyridin-3-ylpropyl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-(3-pyridin-3-ylpropyl)pyrimidine
PubChem CID72885593
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4,6-dimethoxy-2-(3-pyridin-3-ylpropyl)pyrimidine
SMILESCOc1cc(OC)nc(CCCc2cccnc2)n1
InChIInChI=1S/C14H17N3O2/c1-18-13-9-14(19-2)17-12(16-13)7-3-5-11-6-4-8-15-10-11/h4,6,8-10H,3,5,7H2,1-2H3
InChIKeyHOSBVTRMWZAXCC-UHFFFAOYSA-N
XLogP2.06
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

trimethoxy(2-pyridin-3-ylethyl)silane
CID 59906767
6-methoxy-2-(methoxymethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82456595
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
CID 58450299
CID 58450299
6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 113268079
4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine
CID 13302362
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
3-(5-methylhexyl)pyridine
CID 54316004
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine
CID 54369431
8-pyridin-3-yloctan-1-ol
CID 11830623
O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride
CID 45158549

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-(3-pyridin-3-ylpropyl)pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-(3-pyridin-3-ylpropyl)pyrimidine (CID 72885593) is 4,6-dimethoxy-2-(3-pyridin-3-ylpropyl)pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-(3-pyridin-3-ylpropyl)pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-(3-pyridin-3-ylpropyl)pyrimidine is COc1cc(OC)nc(CCCc2cccnc2)n1.
What is the InChIKey of 4,6-dimethoxy-2-(3-pyridin-3-ylpropyl)pyrimidine?
The InChIKey is HOSBVTRMWZAXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-13-9-14(19-2)17-12(16-13)7-3-5-11-6-4-8-15-10-11/h4,6,8-10H,3,5,7H2,1-2H3.
What are the key properties of 4,6-dimethoxy-2-(3-pyridin-3-ylpropyl)pyrimidine?
4,6-dimethoxy-2-(3-pyridin-3-ylpropyl)pyrimidine has a molecular weight of 259.31 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-(3-pyridin-3-ylpropyl)pyrimidine is sourced from PubChem (CID 72885593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).