2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine

C10H16IN3 — CID 66300921

IUPAC2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCc1nc(NC)c(I)c(C(C)C)n1
InChIInChI=1S/C10H16IN3/c1-5-7-13-9(6(2)3)8(11)10(12-4)14-7/h6H,5H2,1-4H3,(H,12,13,14)
InChIKeyCSVDSHTZGVDUKI-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.81
Rot. Bonds3

About 2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine

2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300921) has the molecular formula C10H16IN3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID66300921
Molecular FormulaC10H16IN3
Molecular Weight305.16 g/mol
Exact Mass305.04
IUPAC Name2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCc1nc(NC)c(I)c(C(C)C)n1
InChIInChI=1S/C10H16IN3/c1-5-7-13-9(6(2)3)8(11)10(12-4)14-7/h6H,5H2,1-4H3,(H,12,13,14)
InChIKeyCSVDSHTZGVDUKI-UHFFFAOYSA-N
XLogP2.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)sulfanylmethyl]-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66298176
5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 116729669
2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 79089362
N-ethyl-2-(ethylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66300738
2-[(3-chloro-2-fluorophenyl)methyl]-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 82790667
N-ethyl-5-iodo-2-[(4-methylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 66300931
2-benzyl-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300352
2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300153
2-[2-(dimethylamino)ethyl]-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 115347066
2-[(2-chlorophenyl)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66298770
5-iodo-N-methyl-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 66300334
5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine
CID 66300692

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 66300921) is 2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine is CCc1nc(NC)c(I)c(C(C)C)n1.
What is the InChIKey of 2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is CSVDSHTZGVDUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3/c1-5-7-13-9(6(2)3)8(11)10(12-4)14-7/h6H,5H2,1-4H3,(H,12,13,14).
What are the key properties of 2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine?
2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 305.16 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).