(2R)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N,N-dimethyl-2-phenylacetamide

C19H24N4O2 — CID 95137757

IUPAC(2R)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N,N-dimethyl-2-phenylacetamide
SMILESCCOc1ncnc2c1CN([C@@H](C(=O)N(C)C)c1ccccc1)CC2
InChIInChI=1S/C19H24N4O2/c1-4-25-18-15-12-23(11-10-16(15)20-13-21-18)17(19(24)22(2)3)14-8-6-5-7-9-14/h5-9,13,17H,4,10-12H2,1-3H3/t17-/m1/s1
InChIKeyGHLUSDACUNXDTF-QGZVFWFLSA-N
MW340.43 g/mol
LogP2.06
Rot. Bonds5

About (2R)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N,N-dimethyl-2-phenylacetamide

(2R)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N,N-dimethyl-2-phenylacetamide (PubChem CID 95137757) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2R)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N,N-dimethyl-2-phenylacetamide
PubChem CID95137757
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2R)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N,N-dimethyl-2-phenylacetamide
SMILESCCOc1ncnc2c1CN([C@@H](C(=O)N(C)C)c1ccccc1)CC2
InChIInChI=1S/C19H24N4O2/c1-4-25-18-15-12-23(11-10-16(15)20-13-21-18)17(19(24)22(2)3)14-8-6-5-7-9-14/h5-9,13,17H,4,10-12H2,1-3H3/t17-/m1/s1
InChIKeyGHLUSDACUNXDTF-QGZVFWFLSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of (2R)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N,N-dimethyl-2-phenylacetamide (CID 95137757) is (2R)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N,N-dimethyl-2-phenylacetamide is CCOc1ncnc2c1CN([C@@H](C(=O)N(C)C)c1ccccc1)CC2.
What is the InChIKey of (2R)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N,N-dimethyl-2-phenylacetamide?
The InChIKey is GHLUSDACUNXDTF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-25-18-15-12-23(11-10-16(15)20-13-21-18)17(19(24)22(2)3)14-8-6-5-7-9-14/h5-9,13,17H,4,10-12H2,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N,N-dimethyl-2-phenylacetamide?
(2R)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N,N-dimethyl-2-phenylacetamide has a molecular weight of 340.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 95137757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).