N-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine

C12H21N5 — CID 83025484

IUPACN-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NN2CCN(C)CC2)ncn1
InChIInChI=1S/C12H21N5/c1-3-4-11-9-12(14-10-13-11)15-17-7-5-16(2)6-8-17/h9-10H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyFQFIEBQAMZIRND-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.00
Rot. Bonds4

About N-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine

N-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine (PubChem CID 83025484) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine
PubChem CID83025484
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NN2CCN(C)CC2)ncn1
InChIInChI=1S/C12H21N5/c1-3-4-11-9-12(14-10-13-11)15-17-7-5-16(2)6-8-17/h9-10H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyFQFIEBQAMZIRND-UHFFFAOYSA-N
XLogP1.00
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine (CID 83025484) is N-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine is CCCc1cc(NN2CCN(C)CC2)ncn1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine?
The InChIKey is FQFIEBQAMZIRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-4-11-9-12(14-10-13-11)15-17-7-5-16(2)6-8-17/h9-10H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of N-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine?
N-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 83025484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).