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

C19H31N5O2 — CID 56891974

IUPAC1-[2-(dimethylamino)-6-(oxolan-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
SMILESCN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(CC1CCOC1)CC2
InChIInChI=1S/C19H31N5O2/c1-22(2)19-20-17-5-7-23(11-14-6-10-26-13-14)12-16(17)18(21-19)24-8-3-15(25)4-9-24/h14-15,25H,3-13H2,1-2H3
InChIKeySZIKEZAZRGKEQS-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.90
Rot. Bonds4

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

1-[2-(dimethylamino)-6-(oxolan-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 56891974) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-6-(oxolan-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)-6-(oxolan-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
PubChem CID56891974
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name1-[2-(dimethylamino)-6-(oxolan-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
SMILESCN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(CC1CCOC1)CC2
InChIInChI=1S/C19H31N5O2/c1-22(2)19-20-17-5-7-23(11-14-6-10-26-13-14)12-16(17)18(21-19)24-8-3-15(25)4-9-24/h14-15,25H,3-13H2,1-2H3
InChIKeySZIKEZAZRGKEQS-UHFFFAOYSA-N
XLogP0.90
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-6-(oxolan-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-(dimethylamino)-6-(oxolan-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol (CID 56891974) is 1-[2-(dimethylamino)-6-(oxolan-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(dimethylamino)-6-(oxolan-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-(dimethylamino)-6-(oxolan-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol is CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(CC1CCOC1)CC2.
What is the InChIKey of 1-[2-(dimethylamino)-6-(oxolan-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is SZIKEZAZRGKEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-22(2)19-20-17-5-7-23(11-14-6-10-26-13-14)12-16(17)18(21-19)24-8-3-15(25)4-9-24/h14-15,25H,3-13H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)-6-(oxolan-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol?
1-[2-(dimethylamino)-6-(oxolan-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 361.49 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-6-(oxolan-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 56891974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).