5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine

C13H23N5 — CID 80824589

IUPAC5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1c(N)ncnc1N1CCN(CC(C)C)CC1
InChIInChI=1S/C13H23N5/c1-10(2)8-17-4-6-18(7-5-17)13-11(3)12(14)15-9-16-13/h9-10H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeySJMIUAOKZFGQDW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.15
Rot. Bonds3

About 5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine

5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 80824589) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID80824589
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1c(N)ncnc1N1CCN(CC(C)C)CC1
InChIInChI=1S/C13H23N5/c1-10(2)8-17-4-6-18(7-5-17)13-11(3)12(14)15-9-16-13/h9-10H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeySJMIUAOKZFGQDW-UHFFFAOYSA-N
XLogP1.15
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine (CID 80824589) is 5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine is Cc1c(N)ncnc1N1CCN(CC(C)C)CC1.
What is the InChIKey of 5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is SJMIUAOKZFGQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10(2)8-17-4-6-18(7-5-17)13-11(3)12(14)15-9-16-13/h9-10H,4-8H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine?
5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80824589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).