acetylene;pyrido[3,2-d]pyrimidin-4-amine

C9H8N4 — CID 144514772

IUPACacetylene;pyrido[3,2-d]pyrimidin-4-amine
SMILESC#C.Nc1ncnc2cccnc12
InChIInChI=1S/C7H6N4.C2H2/c8-7-6-5(10-4-11-7)2-1-3-9-6;1-2/h1-4H,(H2,8,10,11);1-2H
InChIKeyZWOGPKPHXKBHJL-UHFFFAOYSA-N
MW172.19 g/mol
LogP0.86
Rot. Bonds

About acetylene;pyrido[3,2-d]pyrimidin-4-amine

acetylene;pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 144514772) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is acetylene;pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Nameacetylene;pyrido[3,2-d]pyrimidin-4-amine
PubChem CID144514772
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Nameacetylene;pyrido[3,2-d]pyrimidin-4-amine
SMILESC#C.Nc1ncnc2cccnc12
InChIInChI=1S/C7H6N4.C2H2/c8-7-6-5(10-4-11-7)2-1-3-9-6;1-2/h1-4H,(H2,8,10,11);1-2H
InChIKeyZWOGPKPHXKBHJL-UHFFFAOYSA-N
XLogP0.86
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,5-naphthyridine-3,4-diamine
CID 22172703
2-fluoropyrido[3,2-d]pyrimidin-4-amine
CID 142156333
hydron;quinazolin-4-amine
CID 174478214
azane;quinazolin-4-amine
CID 172800040
1,7-naphthyridin-8-amine
CID 2737037
4-(1H-1,2,4-triazol-5-yl)pyrido[3,2-d]pyrimidine
CID 66810391
8-bromopyrido[3,2-d]pyrimidin-4-amine
CID 172552100
2-methylpyrazolo[4,3-b]pyridin-3-amine
CID 67783033
2-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
CID 146406319
7-amino-1,6-naphthyridin-8-ol
CID 22765613
iridium(3+);1,5-naphthyridine
CID 175728214
pyrido[2,3-c][1,5]naphthyridine
CID 44631737

Frequently Asked Questions

What is the IUPAC name of acetylene;pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of acetylene;pyrido[3,2-d]pyrimidin-4-amine (CID 144514772) is acetylene;pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for acetylene;pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for acetylene;pyrido[3,2-d]pyrimidin-4-amine is C#C.Nc1ncnc2cccnc12.
What is the InChIKey of acetylene;pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is ZWOGPKPHXKBHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4.C2H2/c8-7-6-5(10-4-11-7)2-1-3-9-6;1-2/h1-4H,(H2,8,10,11);1-2H.
What are the key properties of acetylene;pyrido[3,2-d]pyrimidin-4-amine?
acetylene;pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 172.19 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 144514772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).