N-[1-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C19H26N4 — CID 56758610

IUPACN-[1-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2c1CCNC2)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H26N4/c1-13(14-5-7-15(8-6-14)19(2,3)4)23-18-16-9-10-20-11-17(16)21-12-22-18/h5-8,12-13,20H,9-11H2,1-4H3,(H,21,22,23)
InChIKeyKNSFPELHRGZROS-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.59
Rot. Bonds3

About N-[1-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-[1-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56758610) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56758610
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2c1CCNC2)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H26N4/c1-13(14-5-7-15(8-6-14)19(2,3)4)23-18-16-9-10-20-11-17(16)21-12-22-18/h5-8,12-13,20H,9-11H2,1-4H3,(H,21,22,23)
InChIKeyKNSFPELHRGZROS-UHFFFAOYSA-N
XLogP3.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-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-[1-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56758610) is N-[1-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CC(Nc1ncnc2c1CCNC2)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is KNSFPELHRGZROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-13(14-5-7-15(8-6-14)19(2,3)4)23-18-16-9-10-20-11-17(16)21-12-22-18/h5-8,12-13,20H,9-11H2,1-4H3,(H,21,22,23).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[1-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 310.44 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56758610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).