2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine

C14H24IN5 — CID 115415776

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(CC2CN(C)CCN2C)nc(N)c1I
InChIInChI=1S/C14H24IN5/c1-9(2)13-12(15)14(16)18-11(17-13)7-10-8-19(3)5-6-20(10)4/h9-10H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeyRLXYKORXKZOHME-UHFFFAOYSA-N
MW389.29 g/mol
LogP1.58
Rot. Bonds3

About 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine

2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 115415776) has the molecular formula C14H24IN5 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
PubChem CID115415776
Molecular FormulaC14H24IN5
Molecular Weight389.29 g/mol
Exact Mass389.11
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(CC2CN(C)CCN2C)nc(N)c1I
InChIInChI=1S/C14H24IN5/c1-9(2)13-12(15)14(16)18-11(17-13)7-10-8-19(3)5-6-20(10)4/h9-10H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeyRLXYKORXKZOHME-UHFFFAOYSA-N
XLogP1.58
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 115415698
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 113305593
3-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115414351
1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 115415950
4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 115414370
1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115415952
2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66299542
5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82846782
1-cyclopropyl-2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115415957
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 113305589
1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115414316
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362262

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine (CID 115415776) is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(CC2CN(C)CCN2C)nc(N)c1I.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is RLXYKORXKZOHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24IN5/c1-9(2)13-12(15)14(16)18-11(17-13)7-10-8-19(3)5-6-20(10)4/h9-10H,5-8H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?
2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 389.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 115415776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).