1-[2-(dimethylamino)-6-(2,2-dimethylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol

C19H33N5O — CID 56904981

IUPAC1-[2-(dimethylamino)-6-(2,2-dimethylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
SMILESCN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(CC(C)(C)C)CC2
InChIInChI=1S/C19H33N5O/c1-19(2,3)13-23-9-8-16-15(12-23)17(21-18(20-16)22(4)5)24-10-6-14(25)7-11-24/h14,25H,6-13H2,1-5H3
InChIKeyACXLSSZGJIIRIW-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.91
Rot. Bonds3

About 1-[2-(dimethylamino)-6-(2,2-dimethylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol

1-[2-(dimethylamino)-6-(2,2-dimethylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 56904981) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-6-(2,2-dimethylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)-6-(2,2-dimethylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
PubChem CID56904981
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name1-[2-(dimethylamino)-6-(2,2-dimethylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
SMILESCN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(CC(C)(C)C)CC2
InChIInChI=1S/C19H33N5O/c1-19(2,3)13-23-9-8-16-15(12-23)17(21-18(20-16)22(4)5)24-10-6-14(25)7-11-24/h14,25H,6-13H2,1-5H3
InChIKeyACXLSSZGJIIRIW-UHFFFAOYSA-N
XLogP1.91
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-6-(2,2-dimethylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-(dimethylamino)-6-(2,2-dimethylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol (CID 56904981) is 1-[2-(dimethylamino)-6-(2,2-dimethylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(dimethylamino)-6-(2,2-dimethylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-(dimethylamino)-6-(2,2-dimethylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol is CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(CC(C)(C)C)CC2.
What is the InChIKey of 1-[2-(dimethylamino)-6-(2,2-dimethylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is ACXLSSZGJIIRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-19(2,3)13-23-9-8-16-15(12-23)17(21-18(20-16)22(4)5)24-10-6-14(25)7-11-24/h14,25H,6-13H2,1-5H3.
What are the key properties of 1-[2-(dimethylamino)-6-(2,2-dimethylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol?
1-[2-(dimethylamino)-6-(2,2-dimethylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 347.51 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-6-(2,2-dimethylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 56904981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).