4-(3,3-difluoropiperidin-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine

C16H20F2N4 — CID 172597649

IUPAC4-(3,3-difluoropiperidin-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine
SMILESCCc1nc(C)cc2nc(C)nc(N3CCCC(F)(F)C3)c12
InChIInChI=1S/C16H20F2N4/c1-4-12-14-13(8-10(2)19-12)20-11(3)21-15(14)22-7-5-6-16(17,18)9-22/h8H,4-7,9H2,1-3H3
InChIKeyMYFLYAPTPUTBBR-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.44
Rot. Bonds2

About 4-(3,3-difluoropiperidin-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine

4-(3,3-difluoropiperidin-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine (PubChem CID 172597649) has the molecular formula C16H20F2N4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-(3,3-difluoropiperidin-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3,3-difluoropiperidin-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine
PubChem CID172597649
Molecular FormulaC16H20F2N4
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Name4-(3,3-difluoropiperidin-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine
SMILESCCc1nc(C)cc2nc(C)nc(N3CCCC(F)(F)C3)c12
InChIInChI=1S/C16H20F2N4/c1-4-12-14-13(8-10(2)19-12)20-11(3)21-15(14)22-7-5-6-16(17,18)9-22/h8H,4-7,9H2,1-3H3
InChIKeyMYFLYAPTPUTBBR-UHFFFAOYSA-N
XLogP3.44
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Revaprazan
CID 204104
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
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4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
Revaprazan Hydrochloride
CID 204103
2-[4-(1-Ethyl-propyl)-piperazin-1-yl]-quinoline
CID 11314275
2-(4-Isopropyl-piperazin-1-yl)-quinoline
CID 11393294
4-(3-Piperidin-1-Ylpropyl)-6-[3-(Trifluoromethyl)phenyl]pyrimidine-2-Carbonitrile
CID 11516307
4-(4-Methylpiperazin-1-yl)quinazoline
CID 21029584
4-(1-Azepanyl)-2-(4-pyridinyl)quinazoline
CID 877991
2-(4-Methylpiperazin-1-yl)quinazolin-4-amine
CID 1403136
N-(1-phenylethyl)-2-(piperidin-1-yl)quinazolin-4-amine
CID 2956995

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropiperidin-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(3,3-difluoropiperidin-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine (CID 172597649) is 4-(3,3-difluoropiperidin-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(3,3-difluoropiperidin-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(3,3-difluoropiperidin-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine is CCc1nc(C)cc2nc(C)nc(N3CCCC(F)(F)C3)c12.
What is the InChIKey of 4-(3,3-difluoropiperidin-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine?
The InChIKey is MYFLYAPTPUTBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4/c1-4-12-14-13(8-10(2)19-12)20-11(3)21-15(14)22-7-5-6-16(17,18)9-22/h8H,4-7,9H2,1-3H3.
What are the key properties of 4-(3,3-difluoropiperidin-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine?
4-(3,3-difluoropiperidin-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine has a molecular weight of 306.36 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropiperidin-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 172597649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).