5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine

C14H16IN3 — CID 66307571

IUPAC5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccccc2C)nc(N)c1I
InChIInChI=1S/C14H16IN3/c1-3-6-11-12(15)13(16)18-14(17-11)10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3,(H2,16,17,18)
InChIKeyUCKQRCJBSHYNRC-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.59
Rot. Bonds3

About 5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine

5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine (PubChem CID 66307571) has the molecular formula C14H16IN3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine
PubChem CID66307571
Molecular FormulaC14H16IN3
Molecular Weight353.21 g/mol
Exact Mass353.04
IUPAC Name5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccccc2C)nc(N)c1I
InChIInChI=1S/C14H16IN3/c1-3-6-11-12(15)13(16)18-14(17-11)10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3,(H2,16,17,18)
InChIKeyUCKQRCJBSHYNRC-UHFFFAOYSA-N
XLogP3.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.59
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-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine
CID 66307167
2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine
CID 66307572
5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
CID 66307763
2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66297684
6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine
CID 66298113
5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine
CID 104823382
2-[4,6-diethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethanamine
CID 79218553
4-chloro-2-(2-chlorophenyl)-5-iodo-6-propylpyrimidine
CID 66294183
2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine
CID 115528487
5-bromo-2-(4-bromo-2-methylphenyl)-6-propylpyrimidin-4-amine
CID 103083787
5-bromo-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66306257
6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2730671

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine (CID 66307571) is 5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccccc2C)nc(N)c1I.
What is the InChIKey of 5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine?
The InChIKey is UCKQRCJBSHYNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3/c1-3-6-11-12(15)13(16)18-14(17-11)10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine?
5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine has a molecular weight of 353.21 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66307571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).