2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrido[4,3-d]pyrimidine

C14H17FN4O — CID 164521626

IUPAC2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrido[4,3-d]pyrimidine
SMILESCN1CCC(F)(COc2ncc3cnccc3n2)CC1
InChIInChI=1S/C14H17FN4O/c1-19-6-3-14(15,4-7-19)10-20-13-17-9-11-8-16-5-2-12(11)18-13/h2,5,8-9H,3-4,6-7,10H2,1H3
InChIKeyKWURGPDTYXEJLB-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.84
Rot. Bonds3

About 2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrido[4,3-d]pyrimidine

2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrido[4,3-d]pyrimidine (PubChem CID 164521626) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrido[4,3-d]pyrimidine
PubChem CID164521626
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrido[4,3-d]pyrimidine
SMILESCN1CCC(F)(COc2ncc3cnccc3n2)CC1
InChIInChI=1S/C14H17FN4O/c1-19-6-3-14(15,4-7-19)10-20-13-17-9-11-8-16-5-2-12(11)18-13/h2,5,8-9H,3-4,6-7,10H2,1H3
InChIKeyKWURGPDTYXEJLB-UHFFFAOYSA-N
XLogP1.84
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53326637
Pyrido[4,3-d]pyrimidine deriv. 4r
CID 5328328
2-[4-(2-Pyrimidinyl)-1-piperazinyl]quinoline
CID 7033665
4-(2-Methylpiperidin-1-yl)-2-pyridin-4-ylquinazoline
CID 659902
4-(4-Methylpiperazin-1-yl)-2-pyridin-3-ylquinazoline
CID 872357
4-(4-Methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline
CID 820817
N,N-dimethyl-2-(3-pyridyl)quinazolin-4-amine
CID 3233437
2-(4-Methylpiperazin-1-yl)quinazoline
CID 24759622
4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine
CID 67983896
7-Ethyl-4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine
CID 71525586
N-[[2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 138501446
US11458138, Example 2
CID 135368321

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrido[4,3-d]pyrimidine (CID 164521626) is 2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrido[4,3-d]pyrimidine is CN1CCC(F)(COc2ncc3cnccc3n2)CC1.
What is the InChIKey of 2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrido[4,3-d]pyrimidine?
The InChIKey is KWURGPDTYXEJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-19-6-3-14(15,4-7-19)10-20-13-17-9-11-8-16-5-2-12(11)18-13/h2,5,8-9H,3-4,6-7,10H2,1H3.
What are the key properties of 2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrido[4,3-d]pyrimidine?
2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrido[4,3-d]pyrimidine has a molecular weight of 276.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 164521626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).