5,6-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-amine

C14H25N5 — CID 72915490

IUPAC5,6-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-amine
SMILESCc1ncnc(NCCCN2CCN(C)CC2)c1C
InChIInChI=1S/C14H25N5/c1-12-13(2)16-11-17-14(12)15-5-4-6-19-9-7-18(3)8-10-19/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyUVZYIOBLTJFBMO-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.14
Rot. Bonds5

About 5,6-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-amine

5,6-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-amine (PubChem CID 72915490) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5,6-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-amine
PubChem CID72915490
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name5,6-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-amine
SMILESCc1ncnc(NCCCN2CCN(C)CC2)c1C
InChIInChI=1S/C14H25N5/c1-12-13(2)16-11-17-14(12)15-5-4-6-19-9-7-18(3)8-10-19/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyUVZYIOBLTJFBMO-UHFFFAOYSA-N
XLogP1.14
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-amine (CID 72915490) is 5,6-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-amine is Cc1ncnc(NCCCN2CCN(C)CC2)c1C.
What is the InChIKey of 5,6-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-amine?
The InChIKey is UVZYIOBLTJFBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-12-13(2)16-11-17-14(12)15-5-4-6-19-9-7-18(3)8-10-19/h11H,4-10H2,1-3H3,(H,15,16,17).
What are the key properties of 5,6-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-amine?
5,6-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-amine has a molecular weight of 263.39 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 72915490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).