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

C14H25N5 — CID 72859157

IUPAC5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
SMILESCc1cnc(NCC(C)(C)N2CCN(C)CC2)nc1
InChIInChI=1S/C14H25N5/c1-12-9-15-13(16-10-12)17-11-14(2,3)19-7-5-18(4)6-8-19/h9-10H,5-8,11H2,1-4H3,(H,15,16,17)
InChIKeyWEKBTYXIINBQPP-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.22
Rot. Bonds4

About 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine

5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine (PubChem CID 72859157) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
PubChem CID72859157
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
SMILESCc1cnc(NCC(C)(C)N2CCN(C)CC2)nc1
InChIInChI=1S/C14H25N5/c1-12-9-15-13(16-10-12)17-11-14(2,3)19-7-5-18(4)6-8-19/h9-10H,5-8,11H2,1-4H3,(H,15,16,17)
InChIKeyWEKBTYXIINBQPP-UHFFFAOYSA-N
XLogP1.22
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine (CID 72859157) is 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine is Cc1cnc(NCC(C)(C)N2CCN(C)CC2)nc1.
What is the InChIKey of 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The InChIKey is WEKBTYXIINBQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-12-9-15-13(16-10-12)17-11-14(2,3)19-7-5-18(4)6-8-19/h9-10H,5-8,11H2,1-4H3,(H,15,16,17).
What are the key properties of 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine has a molecular weight of 263.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 72859157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).