1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-morpholin-4-ylethane-1,2-dione

C18H25N5O3 — CID 56872115

IUPAC1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-morpholin-4-ylethane-1,2-dione
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)C(=O)N1CCOCC1)C2
InChIInChI=1S/C18H25N5O3/c1-13-19-15-12-23(18(25)17(24)22-8-10-26-11-9-22)7-4-14(15)16(20-13)21-5-2-3-6-21/h2-12H2,1H3
InChIKeyGTVRBBYBKSCBIU-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.13
Rot. Bonds1

About 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-morpholin-4-ylethane-1,2-dione

1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-morpholin-4-ylethane-1,2-dione (PubChem CID 56872115) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-morpholin-4-ylethane-1,2-dione
PubChem CID56872115
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-morpholin-4-ylethane-1,2-dione
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)C(=O)N1CCOCC1)C2
InChIInChI=1S/C18H25N5O3/c1-13-19-15-12-23(18(25)17(24)22-8-10-26-11-9-22)7-4-14(15)16(20-13)21-5-2-3-6-21/h2-12H2,1H3
InChIKeyGTVRBBYBKSCBIU-UHFFFAOYSA-N
XLogP0.13
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-morpholin-4-ylethane-1,2-dione (CID 56872115) is 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-morpholin-4-ylethane-1,2-dione is Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)C(=O)N1CCOCC1)C2.
What is the InChIKey of 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is GTVRBBYBKSCBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-13-19-15-12-23(18(25)17(24)22-8-10-26-11-9-22)7-4-14(15)16(20-13)21-5-2-3-6-21/h2-12H2,1H3.
What are the key properties of 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-morpholin-4-ylethane-1,2-dione?
1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 359.43 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 56872115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).