N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C14H20N6O — CID 56755030

IUPACN-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1nc(CCNc2ncnc3c2CCNC3)no1
InChIInChI=1S/C14H20N6O/c1-9(2)14-19-12(20-21-14)4-6-16-13-10-3-5-15-7-11(10)17-8-18-13/h8-9,15H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyYGMSTTZCBGMGQZ-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.28
Rot. Bonds5

About N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56755030) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56755030
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1nc(CCNc2ncnc3c2CCNC3)no1
InChIInChI=1S/C14H20N6O/c1-9(2)14-19-12(20-21-14)4-6-16-13-10-3-5-15-7-11(10)17-8-18-13/h8-9,15H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyYGMSTTZCBGMGQZ-UHFFFAOYSA-N
XLogP1.28
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56755030) is N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CC(C)c1nc(CCNc2ncnc3c2CCNC3)no1.
What is the InChIKey of N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is YGMSTTZCBGMGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9(2)14-19-12(20-21-14)4-6-16-13-10-3-5-15-7-11(10)17-8-18-13/h8-9,15H,3-7H2,1-2H3,(H,16,17,18).
What are the key properties of N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 288.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56755030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).