5-[4-[3-[2-(methylamino)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine

C19H23N9 — CID 166611748

IUPAC5-[4-[3-[2-(methylamino)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCNc1ncc(-c2cccc(N3CCN(c4cnc(N)nc4N)CC3)c2)cn1
InChIInChI=1S/C19H23N9/c1-22-19-24-10-14(11-25-19)13-3-2-4-15(9-13)27-5-7-28(8-6-27)16-12-23-18(21)26-17(16)20/h2-4,9-12H,5-8H2,1H3,(H,22,24,25)(H4,20,21,23,26)
InChIKeyQUZLNQXIWNODOS-UHFFFAOYSA-N
MW377.46 g/mol
LogP1.47
Rot. Bonds4

About 5-[4-[3-[2-(methylamino)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine

5-[4-[3-[2-(methylamino)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 166611748) has the molecular formula C19H23N9 and a molecular weight of 377.46 g/mol. Its IUPAC name is 5-[4-[3-[2-(methylamino)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-[3-[2-(methylamino)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID166611748
Molecular FormulaC19H23N9
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Name5-[4-[3-[2-(methylamino)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCNc1ncc(-c2cccc(N3CCN(c4cnc(N)nc4N)CC3)c2)cn1
InChIInChI=1S/C19H23N9/c1-22-19-24-10-14(11-25-19)13-3-2-4-15(9-13)27-5-7-28(8-6-27)16-12-23-18(21)26-17(16)20/h2-4,9-12H,5-8H2,1H3,(H,22,24,25)(H4,20,21,23,26)
InChIKeyQUZLNQXIWNODOS-UHFFFAOYSA-N
XLogP1.47
TPSA122.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[4-[3-[2-(methylamino)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine 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 5-[4-[3-[2-(methylamino)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-[3-[2-(methylamino)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine (CID 166611748) is 5-[4-[3-[2-(methylamino)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-[3-[2-(methylamino)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-[3-[2-(methylamino)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine is CNc1ncc(-c2cccc(N3CCN(c4cnc(N)nc4N)CC3)c2)cn1.
What is the InChIKey of 5-[4-[3-[2-(methylamino)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is QUZLNQXIWNODOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N9/c1-22-19-24-10-14(11-25-19)13-3-2-4-15(9-13)27-5-7-28(8-6-27)16-12-23-18(21)26-17(16)20/h2-4,9-12H,5-8H2,1H3,(H,22,24,25)(H4,20,21,23,26).
What are the key properties of 5-[4-[3-[2-(methylamino)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine?
5-[4-[3-[2-(methylamino)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 377.46 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[2-(methylamino)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 166611748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).