[4-[(5,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methylidene-dimethylazanium

C15H25N4+ — CID 123394612

IUPAC[4-[(5,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methylidene-dimethylazanium
SMILESCc1ncnc(NC2CCC(C=[N+](C)C)CC2)c1C
InChIInChI=1S/C15H25N4/c1-11-12(2)16-10-17-15(11)18-14-7-5-13(6-8-14)9-19(3)4/h9-10,13-14H,5-8H2,1-4H3,(H,16,17,18)/q+1
InChIKeyZXQZUCTVRJOZAF-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.41
Rot. Bonds3

About [4-[(5,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methylidene-dimethylazanium

[4-[(5,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methylidene-dimethylazanium (PubChem CID 123394612) has the molecular formula C15H25N4+ and a molecular weight of 261.39 g/mol. Its IUPAC name is [4-[(5,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methylidene-dimethylazanium.

Molecular Properties

Compound Name[4-[(5,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methylidene-dimethylazanium
PubChem CID123394612
Molecular FormulaC15H25N4+
Molecular Weight261.39 g/mol
Exact Mass261.21
IUPAC Name[4-[(5,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methylidene-dimethylazanium
SMILESCc1ncnc(NC2CCC(C=[N+](C)C)CC2)c1C
InChIInChI=1S/C15H25N4/c1-11-12(2)16-10-17-15(11)18-14-7-5-13(6-8-14)9-19(3)4/h9-10,13-14H,5-8H2,1-4H3,(H,16,17,18)/q+1
InChIKeyZXQZUCTVRJOZAF-UHFFFAOYSA-N
XLogP2.41
TPSA40.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80771823
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine
CID 86286188
N-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine
CID 103650743
4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114118400
6-methoxy-N-(3-methoxycyclopentyl)-5-methylpyrimidin-4-amine
CID 114118126
6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine
CID 63728973
5,6-dimethyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-amine
CID 97209848
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80840348
6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
CID 63730271
4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine
CID 66799509
4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 62318881
N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 712429

Frequently Asked Questions

What is the IUPAC name of [4-[(5,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methylidene-dimethylazanium?
The IUPAC name of [4-[(5,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methylidene-dimethylazanium (CID 123394612) is [4-[(5,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methylidene-dimethylazanium.
What is the SMILES notation for [4-[(5,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methylidene-dimethylazanium?
The canonical SMILES for [4-[(5,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methylidene-dimethylazanium is Cc1ncnc(NC2CCC(C=[N+](C)C)CC2)c1C.
What is the InChIKey of [4-[(5,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methylidene-dimethylazanium?
The InChIKey is ZXQZUCTVRJOZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N4/c1-11-12(2)16-10-17-15(11)18-14-7-5-13(6-8-14)9-19(3)4/h9-10,13-14H,5-8H2,1-4H3,(H,16,17,18)/q+1.
What are the key properties of [4-[(5,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methylidene-dimethylazanium?
[4-[(5,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methylidene-dimethylazanium has a molecular weight of 261.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methylidene-dimethylazanium is sourced from PubChem (CID 123394612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).