6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

C14H24ClN3 — CID 80978049

IUPAC6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCCCCCNc1nc(C(C)C)nc(Cl)c1C
InChIInChI=1S/C14H24ClN3/c1-5-6-7-8-9-16-14-11(4)12(15)17-13(18-14)10(2)3/h10H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyDFTQEJWZVIPGPO-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.55
Rot. Bonds7

About 6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80978049) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80978049
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCCCCCNc1nc(C(C)C)nc(Cl)c1C
InChIInChI=1S/C14H24ClN3/c1-5-6-7-8-9-16-14-11(4)12(15)17-13(18-14)10(2)3/h10H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyDFTQEJWZVIPGPO-UHFFFAOYSA-N
XLogP4.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106842904
N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80971344
6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine
CID 115565447
6-chloro-N-(3-ethylsulfanylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114248421
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine
CID 63730254
6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598
6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970249
N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81000479
6-chloro-5-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80971193
3-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311301
6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
CID 106195112

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80978049) is 6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is CCCCCCNc1nc(C(C)C)nc(Cl)c1C.
What is the InChIKey of 6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is DFTQEJWZVIPGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-5-6-7-8-9-16-14-11(4)12(15)17-13(18-14)10(2)3/h10H,5-9H2,1-4H3,(H,16,17,18).
What are the key properties of 6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 269.82 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80978049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).