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

C21H27N5O3 — CID 42855724

IUPAC1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
SMILESCN(C)c1nc(N2CCOCC2)nc2c1CN(C(=O)COc1ccccc1)CC2
InChIInChI=1S/C21H27N5O3/c1-24(2)20-17-14-26(19(27)15-29-16-6-4-3-5-7-16)9-8-18(17)22-21(23-20)25-10-12-28-13-11-25/h3-7H,8-15H2,1-2H3
InChIKeyFARSRQNECVRXLY-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.34
Rot. Bonds5

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

1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone (PubChem CID 42855724) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
PubChem CID42855724
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
SMILESCN(C)c1nc(N2CCOCC2)nc2c1CN(C(=O)COc1ccccc1)CC2
InChIInChI=1S/C21H27N5O3/c1-24(2)20-17-14-26(19(27)15-29-16-6-4-3-5-7-16)9-8-18(17)22-21(23-20)25-10-12-28-13-11-25/h3-7H,8-15H2,1-2H3
InChIKeyFARSRQNECVRXLY-UHFFFAOYSA-N
XLogP1.34
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone (CID 42855724) is 1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone is CN(C)c1nc(N2CCOCC2)nc2c1CN(C(=O)COc1ccccc1)CC2.
What is the InChIKey of 1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone?
The InChIKey is FARSRQNECVRXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-24(2)20-17-14-26(19(27)15-29-16-6-4-3-5-7-16)9-8-18(17)22-21(23-20)25-10-12-28-13-11-25/h3-7H,8-15H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone?
1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone has a molecular weight of 397.48 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone is sourced from PubChem (CID 42855724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).