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

C18H24N4 — CID 56748297

IUPACN-[1-(4-propylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCCCc1ccc(C(C)Nc2ncnc3c2CCNC3)cc1
InChIInChI=1S/C18H24N4/c1-3-4-14-5-7-15(8-6-14)13(2)22-18-16-9-10-19-11-17(16)20-12-21-18/h5-8,12-13,19H,3-4,9-11H2,1-2H3,(H,20,21,22)
InChIKeyPJNWKQSTUWPEIP-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.25
Rot. Bonds5

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

N-[1-(4-propylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56748297) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[1-(4-propylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-propylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56748297
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-[1-(4-propylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCCCc1ccc(C(C)Nc2ncnc3c2CCNC3)cc1
InChIInChI=1S/C18H24N4/c1-3-4-14-5-7-15(8-6-14)13(2)22-18-16-9-10-19-11-17(16)20-12-21-18/h5-8,12-13,19H,3-4,9-11H2,1-2H3,(H,20,21,22)
InChIKeyPJNWKQSTUWPEIP-UHFFFAOYSA-N
XLogP3.25
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(4-propylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56748297) is N-[1-(4-propylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-propylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(4-propylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CCCc1ccc(C(C)Nc2ncnc3c2CCNC3)cc1.
What is the InChIKey of N-[1-(4-propylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is PJNWKQSTUWPEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-3-4-14-5-7-15(8-6-14)13(2)22-18-16-9-10-19-11-17(16)20-12-21-18/h5-8,12-13,19H,3-4,9-11H2,1-2H3,(H,20,21,22).
What are the key properties of N-[1-(4-propylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[1-(4-propylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 296.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56748297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).