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

C19H32N6O — CID 70742881

IUPAC1-[2-(dimethylamino)-6-(pyrrolidin-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(CC1CCNC1)CC2
InChIInChI=1S/C19H32N6O/c1-23(2)19-21-17-6-8-24(12-14-3-7-20-11-14)13-16(17)18(22-19)25-9-4-15(26)5-10-25/h14-15,20,26H,3-13H2,1-2H3
InChIKeyBCVRNELOALVYQJ-UHFFFAOYSA-N
MW360.51 g/mol
LogP0.47
Rot. Bonds4

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

1-[2-(dimethylamino)-6-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 70742881) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-6-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)-6-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
PubChem CID70742881
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name1-[2-(dimethylamino)-6-(pyrrolidin-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(CC1CCNC1)CC2
InChIInChI=1S/C19H32N6O/c1-23(2)19-21-17-6-8-24(12-14-3-7-20-11-14)13-16(17)18(22-19)25-9-4-15(26)5-10-25/h14-15,20,26H,3-13H2,1-2H3
InChIKeyBCVRNELOALVYQJ-UHFFFAOYSA-N
XLogP0.47
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-6-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-(dimethylamino)-6-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol (CID 70742881) is 1-[2-(dimethylamino)-6-(pyrrolidin-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-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-(dimethylamino)-6-(pyrrolidin-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(CC1CCNC1)CC2.
What is the InChIKey of 1-[2-(dimethylamino)-6-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is BCVRNELOALVYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c1-23(2)19-21-17-6-8-24(12-14-3-7-20-11-14)13-16(17)18(22-19)25-9-4-15(26)5-10-25/h14-15,20,26H,3-13H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)-6-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol?
1-[2-(dimethylamino)-6-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 360.51 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-6-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 70742881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).