N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

C12H20N4O — CID 105498037

IUPACN,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCCN(CC)c1nc2c(c(OC)n1)CCNC2
InChIInChI=1S/C12H20N4O/c1-4-16(5-2)12-14-10-8-13-7-6-9(10)11(15-12)17-3/h13H,4-8H2,1-3H3
InChIKeyOZTLDGGOFUJRJM-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.98
Rot. Bonds4

About N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 105498037) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID105498037
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCCN(CC)c1nc2c(c(OC)n1)CCNC2
InChIInChI=1S/C12H20N4O/c1-4-16(5-2)12-14-10-8-13-7-6-9(10)11(15-12)17-3/h13H,4-8H2,1-3H3
InChIKeyOZTLDGGOFUJRJM-UHFFFAOYSA-N
XLogP0.98
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 105498037) is N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is CCN(CC)c1nc2c(c(OC)n1)CCNC2.
What is the InChIKey of N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is OZTLDGGOFUJRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-16(5-2)12-14-10-8-13-7-6-9(10)11(15-12)17-3/h13H,4-8H2,1-3H3.
What are the key properties of N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 105498037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).