2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine

C14H25N5O — CID 66332259

IUPAC2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine
SMILESCCC(CN)N1CCN(c2cc(OC)nc(C)n2)CC1
InChIInChI=1S/C14H25N5O/c1-4-12(10-15)18-5-7-19(8-6-18)13-9-14(20-3)17-11(2)16-13/h9,12H,4-8,10,15H2,1-3H3
InChIKeyYMDQIKJINBWUAC-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.65
Rot. Bonds5

About 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine

2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine (PubChem CID 66332259) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine
PubChem CID66332259
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine
SMILESCCC(CN)N1CCN(c2cc(OC)nc(C)n2)CC1
InChIInChI=1S/C14H25N5O/c1-4-12(10-15)18-5-7-19(8-6-18)13-9-14(20-3)17-11(2)16-13/h9,12H,4-8,10,15H2,1-3H3
InChIKeyYMDQIKJINBWUAC-UHFFFAOYSA-N
XLogP0.65
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121035022
2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 63591436
3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine
CID 66333706
2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 66333920
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 55203317
3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol
CID 66331263
2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)butan-1-amine
CID 115372177
2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]butanethioamide
CID 63342162
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 79713125
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 121035141
3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine
CID 62785474
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine (CID 66332259) is 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine is CCC(CN)N1CCN(c2cc(OC)nc(C)n2)CC1.
What is the InChIKey of 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine?
The InChIKey is YMDQIKJINBWUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-12(10-15)18-5-7-19(8-6-18)13-9-14(20-3)17-11(2)16-13/h9,12H,4-8,10,15H2,1-3H3.
What are the key properties of 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine?
2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 66332259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).