5-iodo-4-methyl-6-pentylpyrimidin-2-amine

C10H16IN3 — CID 135260347

IUPAC5-iodo-4-methyl-6-pentylpyrimidin-2-amine
SMILESCCCCCc1nc(N)nc(C)c1I
InChIInChI=1S/C10H16IN3/c1-3-4-5-6-8-9(11)7(2)13-10(12)14-8/h3-6H2,1-2H3,(H2,12,13,14)
InChIKeyZEWVAVNVKUFAQG-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.70
Rot. Bonds4

About 5-iodo-4-methyl-6-pentylpyrimidin-2-amine

5-iodo-4-methyl-6-pentylpyrimidin-2-amine (PubChem CID 135260347) has the molecular formula C10H16IN3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 5-iodo-4-methyl-6-pentylpyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-4-methyl-6-pentylpyrimidin-2-amine
PubChem CID135260347
Molecular FormulaC10H16IN3
Molecular Weight305.16 g/mol
Exact Mass305.04
IUPAC Name5-iodo-4-methyl-6-pentylpyrimidin-2-amine
SMILESCCCCCc1nc(N)nc(C)c1I
InChIInChI=1S/C10H16IN3/c1-3-4-5-6-8-9(11)7(2)13-10(12)14-8/h3-6H2,1-2H3,(H2,12,13,14)
InChIKeyZEWVAVNVKUFAQG-UHFFFAOYSA-N
XLogP2.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 4962065
4-Ethyl-6-methylpyrimidin-2-amine
CID 819560
5-Iodo-4,6-dimethylpyrimidin-2-amine
CID 619288
4-Methyl-6-pentylpyrimidin-2-amine
CID 135260401
4,6-Diethylpyrimidin-2-amine
CID 22104158
6-Ethyl-5-hexylpyrimidine-2,4-diamine
CID 44356853
4,6-Dimethyl-5-propyl-2-pyrimidinamine
CID 45064186
5-Iodo-2,4,6-trimethylpyrimidine
CID 10911871
5-Fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 14112678
Pyrimidine, 2,4-diamino-5-isobutyl-6-methyl-
CID 23423603
Pyrimidine, 4,6-dimethyl-2-methylamino-5-propyl-
CID 171383853
2,4-Diamino-5-(n-heptyl)-6-methylpyrimidine
CID 5260124

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methyl-6-pentylpyrimidin-2-amine?
The IUPAC name of 5-iodo-4-methyl-6-pentylpyrimidin-2-amine (CID 135260347) is 5-iodo-4-methyl-6-pentylpyrimidin-2-amine.
What is the SMILES notation for 5-iodo-4-methyl-6-pentylpyrimidin-2-amine?
The canonical SMILES for 5-iodo-4-methyl-6-pentylpyrimidin-2-amine is CCCCCc1nc(N)nc(C)c1I.
What is the InChIKey of 5-iodo-4-methyl-6-pentylpyrimidin-2-amine?
The InChIKey is ZEWVAVNVKUFAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3/c1-3-4-5-6-8-9(11)7(2)13-10(12)14-8/h3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-iodo-4-methyl-6-pentylpyrimidin-2-amine?
5-iodo-4-methyl-6-pentylpyrimidin-2-amine has a molecular weight of 305.16 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methyl-6-pentylpyrimidin-2-amine is sourced from PubChem (CID 135260347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).