5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine

C11H18ClN5 — CID 80927595

IUPAC5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCN(c1nc(NN)ncc1Cl)C1CCCCC1
InChIInChI=1S/C11H18ClN5/c1-17(8-5-3-2-4-6-8)10-9(12)7-14-11(15-10)16-13/h7-8H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyWHMLJULPDWZVFF-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.18
Rot. Bonds3

About 5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine

5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine (PubChem CID 80927595) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine
PubChem CID80927595
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCN(c1nc(NN)ncc1Cl)C1CCCCC1
InChIInChI=1S/C11H18ClN5/c1-17(8-5-3-2-4-6-8)10-9(12)7-14-11(15-10)16-13/h7-8H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyWHMLJULPDWZVFF-UHFFFAOYSA-N
XLogP2.18
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-N-cycloheptyl-4-N-methylpyrimidine-2,4-diamine
CID 80789751
N-cyclohexyl-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103334925
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80904782
5-chloro-2-hydrazinyl-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 80909109
N-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334924
5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80914641
3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine
CID 102750299
5-chloro-4-N-methyl-4-N-(1-methylpiperidin-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80832102
5-bromo-4-N-cycloheptyl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80789656
N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103335783
N-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80907560
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640251

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine (CID 80927595) is 5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine is CN(c1nc(NN)ncc1Cl)C1CCCCC1.
What is the InChIKey of 5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine?
The InChIKey is WHMLJULPDWZVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5/c1-17(8-5-3-2-4-6-8)10-9(12)7-14-11(15-10)16-13/h7-8H,2-6,13H2,1H3,(H,14,15,16).
What are the key properties of 5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine?
5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine has a molecular weight of 255.75 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80927595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).