4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine

C12H21N5 — CID 80837570

IUPAC4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(N2CCNCC2)n1
InChIInChI=1S/C12H21N5/c1-3-4-14-12-15-10(2)9-11(16-12)17-7-5-13-6-8-17/h9,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyLHGNXXBSMRLOIL-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.02
Rot. Bonds4

About 4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine

4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine (PubChem CID 80837570) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine
PubChem CID80837570
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(N2CCNCC2)n1
InChIInChI=1S/C12H21N5/c1-3-4-14-12-15-10(2)9-11(16-12)17-7-5-13-6-8-17/h9,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyLHGNXXBSMRLOIL-UHFFFAOYSA-N
XLogP1.02
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine (CID 80837570) is 4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(N2CCNCC2)n1.
What is the InChIKey of 4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine?
The InChIKey is LHGNXXBSMRLOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-4-14-12-15-10(2)9-11(16-12)17-7-5-13-6-8-17/h9,13H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine?
4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80837570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).