6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine

C11H7ClN4 — CID 88898385

IUPAC6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESClc1ccc2ncnc(NC3=CC=C3)c2n1
InChIInChI=1S/C11H7ClN4/c12-9-5-4-8-10(16-9)11(14-6-13-8)15-7-2-1-3-7/h1-6H,(H,13,14,15)
InChIKeyPDVKZGWNXZKYFQ-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.54
Rot. Bonds2

About 6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine

6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 88898385) has the molecular formula C11H7ClN4 and a molecular weight of 230.66 g/mol. Its IUPAC name is 6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID88898385
Molecular FormulaC11H7ClN4
Molecular Weight230.66 g/mol
Exact Mass230.04
IUPAC Name6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESClc1ccc2ncnc(NC3=CC=C3)c2n1
InChIInChI=1S/C11H7ClN4/c12-9-5-4-8-10(16-9)11(14-6-13-8)15-7-2-1-3-7/h1-6H,(H,13,14,15)
InChIKeyPDVKZGWNXZKYFQ-UHFFFAOYSA-N
XLogP2.54
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 154196913
6-chloro-N-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
CID 166539944
4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol
CID 166539277
6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166539934
3-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-fluorobenzonitrile
CID 166540002
6-chloro-N-[4-(1-methylbenzimidazol-5-yl)oxyphenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 164562062
6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166540295
6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166540318
4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine
CID 71407698
6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166539594
6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane
CID 169133232
N,6-diphenylpyrido[3,2-d]pyrimidin-4-amine
CID 150209313

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine (CID 88898385) is 6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine is Clc1ccc2ncnc(NC3=CC=C3)c2n1.
What is the InChIKey of 6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is PDVKZGWNXZKYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4/c12-9-5-4-8-10(16-9)11(14-6-13-8)15-7-2-1-3-7/h1-6H,(H,13,14,15).
What are the key properties of 6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine?
6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 230.66 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 88898385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).