2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine

C15H16N4O — CID 82247194

IUPAC2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine
SMILESc1cnc(OCc2ccncc2)c(C2=NCCCN2)c1
InChIInChI=1S/C15H16N4O/c1-3-13(14-17-7-2-8-18-14)15(19-6-1)20-11-12-4-9-16-10-5-12/h1,3-6,9-10H,2,7-8,11H2,(H,17,18)
InChIKeyXTOAEXMDTHZRQL-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.80
Rot. Bonds4

About 2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine

2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 82247194) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID82247194
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine
SMILESc1cnc(OCc2ccncc2)c(C2=NCCCN2)c1
InChIInChI=1S/C15H16N4O/c1-3-13(14-17-7-2-8-18-14)15(19-6-1)20-11-12-4-9-16-10-5-12/h1,3-6,9-10H,2,7-8,11H2,(H,17,18)
InChIKeyXTOAEXMDTHZRQL-UHFFFAOYSA-N
XLogP1.80
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(1-methylpyrazol-4-yl)methoxy]pyridine
CID 82245596
2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252851
1-morpholin-4-yl-2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]oxy]ethanone
CID 82252518
N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915826
8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline
CID 82240060
2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239973
2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol
CID 82243481
2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]acetic acid
CID 82244984
2-[2-[(2,6-dimethoxyphenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252949
2-[2-[(4-bromophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82240374
8-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]oxy]quinoline
CID 82250675
2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82245681

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine (CID 82247194) is 2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine is c1cnc(OCc2ccncc2)c(C2=NCCCN2)c1.
What is the InChIKey of 2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is XTOAEXMDTHZRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-13(14-17-7-2-8-18-14)15(19-6-1)20-11-12-4-9-16-10-5-12/h1,3-6,9-10H,2,7-8,11H2,(H,17,18).
What are the key properties of 2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine?
2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 268.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82247194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).