[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone

C15H19N7OS — CID 56870367

IUPAC[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone
SMILESNc1nnc(CCNc2ncnc3c2CCN(C(=O)C2CC2)C3)s1
InChIInChI=1S/C15H19N7OS/c16-15-21-20-12(24-15)3-5-17-13-10-4-6-22(14(23)9-1-2-9)7-11(10)18-8-19-13/h8-9H,1-7H2,(H2,16,21)(H,17,18,19)
InChIKeyPLYNMHRANBQYDJ-UHFFFAOYSA-N
MW345.43 g/mol
LogP0.86
Rot. Bonds5

About [4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone

[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone (PubChem CID 56870367) has the molecular formula C15H19N7OS and a molecular weight of 345.43 g/mol. Its IUPAC name is [4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone
PubChem CID56870367
Molecular FormulaC15H19N7OS
Molecular Weight345.43 g/mol
Exact Mass345.14
IUPAC Name[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone
SMILESNc1nnc(CCNc2ncnc3c2CCN(C(=O)C2CC2)C3)s1
InChIInChI=1S/C15H19N7OS/c16-15-21-20-12(24-15)3-5-17-13-10-4-6-22(14(23)9-1-2-9)7-11(10)18-8-19-13/h8-9H,1-7H2,(H2,16,21)(H,17,18,19)
InChIKeyPLYNMHRANBQYDJ-UHFFFAOYSA-N
XLogP0.86
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

CID 53571417
CID 53571417
CID 56803048
CID 56803048
CID 56865157
CID 56865157
CID 56870885
CID 56870885
CID 56862533
CID 56862533
CID 53601785
CID 53601785
CID 56760108
CID 56760108
CID 56803050
CID 56803050
CID 56862095
CID 56862095
CID 56862116
CID 56862116
CID 56865352
CID 56865352
CID 56867694
CID 56867694

Frequently Asked Questions

What is the IUPAC name of [4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone?
The IUPAC name of [4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone (CID 56870367) is [4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone is Nc1nnc(CCNc2ncnc3c2CCN(C(=O)C2CC2)C3)s1.
What is the InChIKey of [4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone?
The InChIKey is PLYNMHRANBQYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7OS/c16-15-21-20-12(24-15)3-5-17-13-10-4-6-22(14(23)9-1-2-9)7-11(10)18-8-19-13/h8-9H,1-7H2,(H2,16,21)(H,17,18,19).
What are the key properties of [4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone?
[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone has a molecular weight of 345.43 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone is sourced from PubChem (CID 56870367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).