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

C17H24N4O — CID 72930753

IUPAC4-[4-(ethoxymethyl)piperidin-1-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine
SMILESCCOCC1CCN(c2ncnc3nc(C)cc(C)c23)CC1
InChIInChI=1S/C17H24N4O/c1-4-22-10-14-5-7-21(8-6-14)17-15-12(2)9-13(3)20-16(15)18-11-19-17/h9,11,14H,4-8,10H2,1-3H3
InChIKeyKSILVHBDWGFYRZ-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.89
Rot. Bonds4

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

4-[4-(ethoxymethyl)piperidin-1-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine (PubChem CID 72930753) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-[4-(ethoxymethyl)piperidin-1-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(ethoxymethyl)piperidin-1-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine
PubChem CID72930753
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-[4-(ethoxymethyl)piperidin-1-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine
SMILESCCOCC1CCN(c2ncnc3nc(C)cc(C)c23)CC1
InChIInChI=1S/C17H24N4O/c1-4-22-10-14-5-7-21(8-6-14)17-15-12(2)9-13(3)20-16(15)18-11-19-17/h9,11,14H,4-8,10H2,1-3H3
InChIKeyKSILVHBDWGFYRZ-UHFFFAOYSA-N
XLogP2.89
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine
CID 72874109
4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine
CID 72870631
(1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 97203919
(3S)-8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 97202958
2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310058
8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 72858507
9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane
CID 72857697
4-[4-(ethoxymethyl)piperidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133460751
5,7-dimethyl-4-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyrido[2,3-d]pyrimidine
CID 72905652
4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 129497002
4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine
CID 126873131
4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 131938332

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethoxymethyl)piperidin-1-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(ethoxymethyl)piperidin-1-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine (CID 72930753) is 4-[4-(ethoxymethyl)piperidin-1-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(ethoxymethyl)piperidin-1-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(ethoxymethyl)piperidin-1-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine is CCOCC1CCN(c2ncnc3nc(C)cc(C)c23)CC1.
What is the InChIKey of 4-[4-(ethoxymethyl)piperidin-1-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine?
The InChIKey is KSILVHBDWGFYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-22-10-14-5-7-21(8-6-14)17-15-12(2)9-13(3)20-16(15)18-11-19-17/h9,11,14H,4-8,10H2,1-3H3.
What are the key properties of 4-[4-(ethoxymethyl)piperidin-1-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine?
4-[4-(ethoxymethyl)piperidin-1-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine has a molecular weight of 300.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethoxymethyl)piperidin-1-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 72930753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).