8-chloro-N-(1-methylcyclopropyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine

C16H14ClN5 — CID 135368026

IUPAC8-chloro-N-(1-methylcyclopropyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(Nc2nc(-c3ccncc3)nc3c(Cl)nccc23)CC1
InChIInChI=1S/C16H14ClN5/c1-16(5-6-16)22-15-11-4-9-19-13(17)12(11)20-14(21-15)10-2-7-18-8-3-10/h2-4,7-9H,5-6H2,1H3,(H,20,21,22)
InChIKeyRLWYFPYOBNIXQH-UHFFFAOYSA-N
MW311.78 g/mol
LogP3.70
Rot. Bonds3

About 8-chloro-N-(1-methylcyclopropyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine

8-chloro-N-(1-methylcyclopropyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 135368026) has the molecular formula C16H14ClN5 and a molecular weight of 311.78 g/mol. Its IUPAC name is 8-chloro-N-(1-methylcyclopropyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name8-chloro-N-(1-methylcyclopropyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID135368026
Molecular FormulaC16H14ClN5
Molecular Weight311.78 g/mol
Exact Mass311.09
IUPAC Name8-chloro-N-(1-methylcyclopropyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(Nc2nc(-c3ccncc3)nc3c(Cl)nccc23)CC1
InChIInChI=1S/C16H14ClN5/c1-16(5-6-16)22-15-11-4-9-19-13(17)12(11)20-14(21-15)10-2-7-18-8-3-10/h2-4,7-9H,5-6H2,1H3,(H,20,21,22)
InChIKeyRLWYFPYOBNIXQH-UHFFFAOYSA-N
XLogP3.70
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 8-chloro-N-(1-methylcyclopropyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 8-chloro-N-(1-methylcyclopropyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (CID 135368026) is 8-chloro-N-(1-methylcyclopropyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 8-chloro-N-(1-methylcyclopropyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 8-chloro-N-(1-methylcyclopropyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is CC1(Nc2nc(-c3ccncc3)nc3c(Cl)nccc23)CC1.
What is the InChIKey of 8-chloro-N-(1-methylcyclopropyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is RLWYFPYOBNIXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5/c1-16(5-6-16)22-15-11-4-9-19-13(17)12(11)20-14(21-15)10-2-7-18-8-3-10/h2-4,7-9H,5-6H2,1H3,(H,20,21,22).
What are the key properties of 8-chloro-N-(1-methylcyclopropyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
8-chloro-N-(1-methylcyclopropyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 311.78 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(1-methylcyclopropyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135368026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).