4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine

C12H21N5 — CID 117044303

IUPAC4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine
SMILESCc1ccnc(NCCC2CNCCN2C)n1
InChIInChI=1S/C12H21N5/c1-10-3-5-14-12(16-10)15-6-4-11-9-13-7-8-17(11)2/h3,5,11,13H,4,6-9H2,1-2H3,(H,14,15,16)
InChIKeyRBDPYCQNHHWHDK-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.49
Rot. Bonds4

About 4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine

4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 117044303) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine
PubChem CID117044303
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine
SMILESCc1ccnc(NCCC2CNCCN2C)n1
InChIInChI=1S/C12H21N5/c1-10-3-5-14-12(16-10)15-6-4-11-9-13-7-8-17(11)2/h3,5,11,13H,4,6-9H2,1-2H3,(H,14,15,16)
InChIKeyRBDPYCQNHHWHDK-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine (CID 117044303) is 4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine is Cc1ccnc(NCCC2CNCCN2C)n1.
What is the InChIKey of 4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is RBDPYCQNHHWHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-10-3-5-14-12(16-10)15-6-4-11-9-13-7-8-17(11)2/h3,5,11,13H,4,6-9H2,1-2H3,(H,14,15,16).
What are the key properties of 4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine?
4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 117044303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).