6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine

C16H24ClN3 — CID 106193809

IUPAC6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCCC1=CCCCC1
InChIInChI=1S/C16H24ClN3/c1-11(2)15-19-14(17)12(3)16(20-15)18-10-9-13-7-5-4-6-8-13/h7,11H,4-6,8-10H2,1-3H3,(H,18,19,20)
InChIKeyWRCGAGDRQYILEG-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.86
Rot. Bonds5

About 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 106193809) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID106193809
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCCC1=CCCCC1
InChIInChI=1S/C16H24ClN3/c1-11(2)15-19-14(17)12(3)16(20-15)18-10-9-13-7-5-4-6-8-13/h7,11H,4-6,8-10H2,1-3H3,(H,18,19,20)
InChIKeyWRCGAGDRQYILEG-UHFFFAOYSA-N
XLogP4.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 80979409
6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978049
6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598
6-chloro-N-(3-ethylsulfanylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114248421
6-chloro-5-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80971193
6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970081
2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341647
N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80971344
3-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311301
6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82459433
6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
CID 106195112
6-chloro-5-methyl-N-(2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-amine
CID 106196742

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 106193809) is 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1NCCC1=CCCCC1.
What is the InChIKey of 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is WRCGAGDRQYILEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-11(2)15-19-14(17)12(3)16(20-15)18-10-9-13-7-5-4-6-8-13/h7,11H,4-6,8-10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 293.84 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106193809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).