[4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine

C13H23N5O — CID 80506286

IUPAC[4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine
SMILESCCCOc1cc(N2CCN(C)CC2CN)ncn1
InChIInChI=1S/C13H23N5O/c1-3-6-19-13-7-12(15-10-16-13)18-5-4-17(2)9-11(18)8-14/h7,10-11H,3-6,8-9,14H2,1-2H3
InChIKeyQEMCTVWOPFQVOE-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.34
Rot. Bonds5

About [4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine

[4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine (PubChem CID 80506286) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine
PubChem CID80506286
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name[4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine
SMILESCCCOc1cc(N2CCN(C)CC2CN)ncn1
InChIInChI=1S/C13H23N5O/c1-3-6-19-13-7-12(15-10-16-13)18-5-4-17(2)9-11(18)8-14/h7,10-11H,3-6,8-9,14H2,1-2H3
InChIKeyQEMCTVWOPFQVOE-UHFFFAOYSA-N
XLogP0.34
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine
CID 80506382
[1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66334205
2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine
CID 66331369
1-(6-propoxypyrimidin-4-yl)piperidin-3-amine
CID 66333796
4-[2-(2-chloroethyl)piperidin-1-yl]-6-propoxypyrimidine
CID 66333215
2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 66331786
2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
CID 66333388
[4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine
CID 83271655
N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine
CID 66331992
N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 66331777
4-[3-(chloromethyl)pyrrolidin-1-yl]-6-propoxypyrimidine
CID 66334023
[6-methyl-4-(6-propoxypyrimidin-4-yl)morpholin-2-yl]methanamine
CID 102938720

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine (CID 80506286) is [4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine is CCCOc1cc(N2CCN(C)CC2CN)ncn1.
What is the InChIKey of [4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine?
The InChIKey is QEMCTVWOPFQVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-6-19-13-7-12(15-10-16-13)18-5-4-17(2)9-11(18)8-14/h7,10-11H,3-6,8-9,14H2,1-2H3.
What are the key properties of [4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine?
[4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine has a molecular weight of 265.36 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine is sourced from PubChem (CID 80506286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).