5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine

C10H16IN3 — CID 66306098

IUPAC5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine
SMILESCc1nc(CCC(C)C)nc(N)c1I
InChIInChI=1S/C10H16IN3/c1-6(2)4-5-8-13-7(3)9(11)10(12)14-8/h6H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeySNHQXYXHDHSUTC-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.56
Rot. Bonds3

About 5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine

5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine (PubChem CID 66306098) has the molecular formula C10H16IN3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine
PubChem CID66306098
Molecular FormulaC10H16IN3
Molecular Weight305.16 g/mol
Exact Mass305.04
IUPAC Name5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine
SMILESCc1nc(CCC(C)C)nc(N)c1I
InChIInChI=1S/C10H16IN3/c1-6(2)4-5-8-13-7(3)9(11)10(12)14-8/h6H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeySNHQXYXHDHSUTC-UHFFFAOYSA-N
XLogP2.56
TPSA51.80 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 ≤ 52.56
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

5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
CID 66307320
5-iodo-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66307691
[5,6-dimethyl-2-(3-methylbutyl)pyrimidin-4-yl]hydrazine
CID 62250159
1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine
CID 62745995
2-(3-methylbutyl)-7H-purine-6,8-diamine
CID 174749238
2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191076
2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine
CID 90724763
2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66306102
5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 66307490
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-methylpyrimidin-4-amine
CID 66305099
5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
CID 107766053
6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
CID 66298229

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine (CID 66306098) is 5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine is Cc1nc(CCC(C)C)nc(N)c1I.
What is the InChIKey of 5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine?
The InChIKey is SNHQXYXHDHSUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3/c1-6(2)4-5-8-13-7(3)9(11)10(12)14-8/h6H,4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of 5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine?
5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine has a molecular weight of 305.16 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 66306098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).