[2-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-5-yl]methanamine

C12H21N5 — CID 113388226

IUPAC[2-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-5-yl]methanamine
SMILESCN1CCN(c2ncc(CN)cn2)CC1(C)C
InChIInChI=1S/C12H21N5/c1-12(2)9-17(5-4-16(12)3)11-14-7-10(6-13)8-15-11/h7-8H,4-6,9,13H2,1-3H3
InChIKeyZQCLWJGQIITMHS-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.47
Rot. Bonds2

About [2-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-5-yl]methanamine

[2-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-5-yl]methanamine (PubChem CID 113388226) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-5-yl]methanamine
PubChem CID113388226
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name[2-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-5-yl]methanamine
SMILESCN1CCN(c2ncc(CN)cn2)CC1(C)C
InChIInChI=1S/C12H21N5/c1-12(2)9-17(5-4-16(12)3)11-14-7-10(6-13)8-15-11/h7-8H,4-6,9,13H2,1-3H3
InChIKeyZQCLWJGQIITMHS-UHFFFAOYSA-N
XLogP0.47
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(azepan-1-yl)pyrimidin-5-yl]methanamine
CID 62757844
[2-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 63603429
[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methanamine
CID 55216553
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine
CID 104959418
[4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63604707
[3-chloro-6-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]methanamine
CID 63620622
4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine
CID 66233004
5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine
CID 113420482
2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107544517
6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine
CID 106747739
[2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
CID 63604653
4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine
CID 63634499

Frequently Asked Questions

What is the IUPAC name of [2-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-5-yl]methanamine (CID 113388226) is [2-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-5-yl]methanamine is CN1CCN(c2ncc(CN)cn2)CC1(C)C.
What is the InChIKey of [2-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-5-yl]methanamine?
The InChIKey is ZQCLWJGQIITMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-12(2)9-17(5-4-16(12)3)11-14-7-10(6-13)8-15-11/h7-8H,4-6,9,13H2,1-3H3.
What are the key properties of [2-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-5-yl]methanamine?
[2-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-5-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 113388226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).