5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine

C13H15IN4 — CID 104823382

IUPAC5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(C)nc2)nc(N)c1I
InChIInChI=1S/C13H15IN4/c1-3-4-10-11(14)12(15)18-13(17-10)9-6-5-8(2)16-7-9/h5-7H,3-4H2,1-2H3,(H2,15,17,18)
InChIKeySUTUYRNNZBRYMN-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.99
Rot. Bonds3

About 5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine

5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine (PubChem CID 104823382) has the molecular formula C13H15IN4 and a molecular weight of 354.20 g/mol. Its IUPAC name is 5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine
PubChem CID104823382
Molecular FormulaC13H15IN4
Molecular Weight354.20 g/mol
Exact Mass354.03
IUPAC Name5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(C)nc2)nc(N)c1I
InChIInChI=1S/C13H15IN4/c1-3-4-10-11(14)12(15)18-13(17-10)9-6-5-8(2)16-7-9/h5-7H,3-4H2,1-2H3,(H2,15,17,18)
InChIKeySUTUYRNNZBRYMN-UHFFFAOYSA-N
XLogP2.99
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine
CID 104822846
5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
CID 66307763
2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 103570532
5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine
CID 66307571
6-ethyl-5-iodo-2-(4-methylphenyl)pyrimidin-4-amine
CID 66298872
2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine
CID 66307167
5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol
CID 66295374
2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine
CID 115528487
2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine
CID 66307572
4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine
CID 113457185
N-ethyl-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine
CID 104823324
2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66297684

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine (CID 104823382) is 5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccc(C)nc2)nc(N)c1I.
What is the InChIKey of 5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine?
The InChIKey is SUTUYRNNZBRYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN4/c1-3-4-10-11(14)12(15)18-13(17-10)9-6-5-8(2)16-7-9/h5-7H,3-4H2,1-2H3,(H2,15,17,18).
What are the key properties of 5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine?
5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine has a molecular weight of 354.20 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 104823382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).