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

C17H27N5O2 — CID 110262189

IUPAC2-methoxy-1-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCNc1nc(C2CCCCN2C(=O)COC)nc2c1CN(C)CC2
InChIInChI=1S/C17H27N5O2/c1-18-16-12-10-21(2)9-7-13(12)19-17(20-16)14-6-4-5-8-22(14)15(23)11-24-3/h14H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyNAYRKHIDWOAJIP-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.21
Rot. Bonds4

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

2-methoxy-1-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110262189) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-methoxy-1-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
PubChem CID110262189
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-methoxy-1-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCNc1nc(C2CCCCN2C(=O)COC)nc2c1CN(C)CC2
InChIInChI=1S/C17H27N5O2/c1-18-16-12-10-21(2)9-7-13(12)19-17(20-16)14-6-4-5-8-22(14)15(23)11-24-3/h14H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyNAYRKHIDWOAJIP-UHFFFAOYSA-N
XLogP1.21
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 110262189) is 2-methoxy-1-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is CNc1nc(C2CCCCN2C(=O)COC)nc2c1CN(C)CC2.
What is the InChIKey of 2-methoxy-1-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is NAYRKHIDWOAJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-18-16-12-10-21(2)9-7-13(12)19-17(20-16)14-6-4-5-8-22(14)15(23)11-24-3/h14H,4-11H2,1-3H3,(H,18,19,20).
What are the key properties of 2-methoxy-1-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?
2-methoxy-1-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 333.44 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110262189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).