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

C17H27N5O2 — CID 56912768

IUPAC1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone
SMILESCc1nc2c(c(N(C)C)n1)CCN(C(=O)CN1CCC(O)CC1)C2
InChIInChI=1S/C17H27N5O2/c1-12-18-15-10-22(9-6-14(15)17(19-12)20(2)3)16(24)11-21-7-4-13(23)5-8-21/h13,23H,4-11H2,1-3H3
InChIKeyBUDNVLZPKNCTBH-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.19
Rot. Bonds3

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

1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 56912768) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID56912768
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone
SMILESCc1nc2c(c(N(C)C)n1)CCN(C(=O)CN1CCC(O)CC1)C2
InChIInChI=1S/C17H27N5O2/c1-12-18-15-10-22(9-6-14(15)17(19-12)20(2)3)16(24)11-21-7-4-13(23)5-8-21/h13,23H,4-11H2,1-3H3
InChIKeyBUDNVLZPKNCTBH-UHFFFAOYSA-N
XLogP0.19
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone (CID 56912768) is 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone is Cc1nc2c(c(N(C)C)n1)CCN(C(=O)CN1CCC(O)CC1)C2.
What is the InChIKey of 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is BUDNVLZPKNCTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12-18-15-10-22(9-6-14(15)17(19-12)20(2)3)16(24)11-21-7-4-13(23)5-8-21/h13,23H,4-11H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone?
1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 333.44 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 56912768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).