6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine

C17H19ClN6O — CID 146350557

IUPAC6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCN1CCN(c2nc(NCc3ccco3)c3cc(Cl)ncc3n2)CC1
InChIInChI=1S/C17H19ClN6O/c1-23-4-6-24(7-5-23)17-21-14-11-19-15(18)9-13(14)16(22-17)20-10-12-3-2-8-25-12/h2-3,8-9,11H,4-7,10H2,1H3,(H,20,21,22)
InChIKeyZQBRMMQQDNSPEV-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.64
Rot. Bonds4

About 6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine

6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 146350557) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is 6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID146350557
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC Name6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCN1CCN(c2nc(NCc3ccco3)c3cc(Cl)ncc3n2)CC1
InChIInChI=1S/C17H19ClN6O/c1-23-4-6-24(7-5-23)17-21-14-11-19-15(18)9-13(14)16(22-17)20-10-12-3-2-8-25-12/h2-3,8-9,11H,4-7,10H2,1H3,(H,20,21,22)
InChIKeyZQBRMMQQDNSPEV-UHFFFAOYSA-N
XLogP2.64
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine (CID 146350557) is 6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine is CN1CCN(c2nc(NCc3ccco3)c3cc(Cl)ncc3n2)CC1.
What is the InChIKey of 6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is ZQBRMMQQDNSPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O/c1-23-4-6-24(7-5-23)17-21-14-11-19-15(18)9-13(14)16(22-17)20-10-12-3-2-8-25-12/h2-3,8-9,11H,4-7,10H2,1H3,(H,20,21,22).
What are the key properties of 6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine?
6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 358.83 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146350557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).