2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine

C16H20IN3 — CID 66307569

IUPAC2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2ccc(C)c(C)c2)nc(N)c1I
InChIInChI=1S/C16H20IN3/c1-4-5-13-15(17)16(18)20-14(19-13)9-12-7-6-10(2)11(3)8-12/h6-8H,4-5,9H2,1-3H3,(H2,18,19,20)
InChIKeyDVNVDMHAYMCSRR-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.82
Rot. Bonds4

About 2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine

2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 66307569) has the molecular formula C16H20IN3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
PubChem CID66307569
Molecular FormulaC16H20IN3
Molecular Weight381.26 g/mol
Exact Mass381.07
IUPAC Name2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2ccc(C)c(C)c2)nc(N)c1I
InChIInChI=1S/C16H20IN3/c1-4-5-13-15(17)16(18)20-14(19-13)9-12-7-6-10(2)11(3)8-12/h6-8H,4-5,9H2,1-3H3,(H2,18,19,20)
InChIKeyDVNVDMHAYMCSRR-UHFFFAOYSA-N
XLogP3.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.82
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-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66305388
5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine
CID 66304585
2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66306766
2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66305379
6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66299080
2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 79089175
2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66305972
2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66298678
6-ethyl-5-iodo-2-propylpyrimidin-4-amine
CID 66298675
2-[(3,5-difluorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66300055
2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 55130279
5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine
CID 66307571

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine (CID 66307569) is 2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(Cc2ccc(C)c(C)c2)nc(N)c1I.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is DVNVDMHAYMCSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3/c1-4-5-13-15(17)16(18)20-14(19-13)9-12-7-6-10(2)11(3)8-12/h6-8H,4-5,9H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine?
2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 381.26 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66307569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).