4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine

C19H23N7 — CID 19144015

IUPAC4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
SMILESCN1CCN(Nc2ncnc(Nc3cccc4ccccc34)c2N)CC1
InChIInChI=1S/C19H23N7/c1-25-9-11-26(12-10-25)24-19-17(20)18(21-13-22-19)23-16-8-4-6-14-5-2-3-7-15(14)16/h2-8,13H,9-12,20H2,1H3,(H2,21,22,23,24)
InChIKeyITRPPENXHXDTLB-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.53
Rot. Bonds4

About 4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine

4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine (PubChem CID 19144015) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
PubChem CID19144015
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
SMILESCN1CCN(Nc2ncnc(Nc3cccc4ccccc34)c2N)CC1
InChIInChI=1S/C19H23N7/c1-25-9-11-26(12-10-25)24-19-17(20)18(21-13-22-19)23-16-8-4-6-14-5-2-3-7-15(14)16/h2-8,13H,9-12,20H2,1H3,(H2,21,22,23,24)
InChIKeyITRPPENXHXDTLB-UHFFFAOYSA-N
XLogP2.53
TPSA82.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine 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 4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine (CID 19144015) is 4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine is CN1CCN(Nc2ncnc(Nc3cccc4ccccc34)c2N)CC1.
What is the InChIKey of 4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
The InChIKey is ITRPPENXHXDTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-25-9-11-26(12-10-25)24-19-17(20)18(21-13-22-19)23-16-8-4-6-14-5-2-3-7-15(14)16/h2-8,13H,9-12,20H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine has a molecular weight of 349.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19144015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).