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

C19H29N7O — CID 56884871

IUPAC1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
SMILESCN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(Cc1nccn1C)CC2
InChIInChI=1S/C19H29N7O/c1-23(2)19-21-16-6-8-25(13-17-20-7-11-24(17)3)12-15(16)18(22-19)26-9-4-14(27)5-10-26/h7,11,14,27H,4-6,8-10,12-13H2,1-3H3
InChIKeySKHWIPHFJAIWSC-UHFFFAOYSA-N
MW371.49 g/mol
LogP0.80
Rot. Bonds4

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

1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 56884871) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
PubChem CID56884871
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
SMILESCN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(Cc1nccn1C)CC2
InChIInChI=1S/C19H29N7O/c1-23(2)19-21-16-6-8-25(13-17-20-7-11-24(17)3)12-15(16)18(22-19)26-9-4-14(27)5-10-26/h7,11,14,27H,4-6,8-10,12-13H2,1-3H3
InChIKeySKHWIPHFJAIWSC-UHFFFAOYSA-N
XLogP0.80
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol (CID 56884871) is 1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol is CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(Cc1nccn1C)CC2.
What is the InChIKey of 1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is SKHWIPHFJAIWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-23(2)19-21-16-6-8-25(13-17-20-7-11-24(17)3)12-15(16)18(22-19)26-9-4-14(27)5-10-26/h7,11,14,27H,4-6,8-10,12-13H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol?
1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 371.49 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 56884871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).