5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine

C16H22N4S — CID 72874109

IUPAC5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCSCC1CCN(c2ncnc3nc(C)cc(C)c23)CC1
InChIInChI=1S/C16H22N4S/c1-11-8-12(2)19-15-14(11)16(18-10-17-15)20-6-4-13(5-7-20)9-21-3/h8,10,13H,4-7,9H2,1-3H3
InChIKeyWXXDYZOPFIPNJX-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.22
Rot. Bonds3

About 5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine

5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine (PubChem CID 72874109) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine
PubChem CID72874109
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCSCC1CCN(c2ncnc3nc(C)cc(C)c23)CC1
InChIInChI=1S/C16H22N4S/c1-11-8-12(2)19-15-14(11)16(18-10-17-15)20-6-4-13(5-7-20)9-21-3/h8,10,13H,4-7,9H2,1-3H3
InChIKeyWXXDYZOPFIPNJX-UHFFFAOYSA-N
XLogP3.22
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(ethoxymethyl)piperidin-1-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine
CID 72930753
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
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
5,7-dimethyl-4-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyrido[2,3-d]pyrimidine
CID 72905652
[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
CID 72858923
N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
CID 72895054
5,7-dimethyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-amine
CID 72892101
N,5,7-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97189275
N-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
CID 62289436

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine?
The IUPAC name of 5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine (CID 72874109) is 5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine is CSCC1CCN(c2ncnc3nc(C)cc(C)c23)CC1.
What is the InChIKey of 5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine?
The InChIKey is WXXDYZOPFIPNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-11-8-12(2)19-15-14(11)16(18-10-17-15)20-6-4-13(5-7-20)9-21-3/h8,10,13H,4-7,9H2,1-3H3.
What are the key properties of 5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine?
5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine has a molecular weight of 302.45 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 72874109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).