6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine

C11H8ClN5 — CID 154196913

IUPAC6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESClc1ccc2ncnc(Nc3cc[nH]c3)c2n1
InChIInChI=1S/C11H8ClN5/c12-9-2-1-8-10(17-9)11(15-6-14-8)16-7-3-4-13-5-7/h1-6,13H,(H,14,15,16)
InChIKeyQOURTRXHTOZBEG-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.75
Rot. Bonds2

About 6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine

6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 154196913) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID154196913
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESClc1ccc2ncnc(Nc3cc[nH]c3)c2n1
InChIInChI=1S/C11H8ClN5/c12-9-2-1-8-10(17-9)11(15-6-14-8)16-7-3-4-13-5-7/h1-6,13H,(H,14,15,16)
InChIKeyQOURTRXHTOZBEG-UHFFFAOYSA-N
XLogP2.75
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine (CID 154196913) is 6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine is Clc1ccc2ncnc(Nc3cc[nH]c3)c2n1.
What is the InChIKey of 6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is QOURTRXHTOZBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c12-9-2-1-8-10(17-9)11(15-6-14-8)16-7-3-4-13-5-7/h1-6,13H,(H,14,15,16).
What are the key properties of 6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine?
6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 245.67 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 154196913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).