2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

C16H19BrIN3 — CID 66298903

IUPAC2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cc2ccccc2Br)nc(CC)c1I
InChIInChI=1S/C16H19BrIN3/c1-3-9-19-16-15(18)13(4-2)20-14(21-16)10-11-7-5-6-8-12(11)17/h5-8H,3-4,9-10H2,1-2H3,(H,19,20,21)
InChIKeyGKUAFLCEBOPXSQ-UHFFFAOYSA-N
MW460.16 g/mol
LogP4.82
Rot. Bonds6

About 2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 66298903) has the molecular formula C16H19BrIN3 and a molecular weight of 460.16 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
PubChem CID66298903
Molecular FormulaC16H19BrIN3
Molecular Weight460.16 g/mol
Exact Mass458.98
IUPAC Name2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cc2ccccc2Br)nc(CC)c1I
InChIInChI=1S/C16H19BrIN3/c1-3-9-19-16-15(18)13(4-2)20-14(21-16)10-11-7-5-6-8-12(11)17/h5-8H,3-4,9-10H2,1-2H3,(H,19,20,21)
InChIKeyGKUAFLCEBOPXSQ-UHFFFAOYSA-N
XLogP4.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.16
LogP ≤ 54.82
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

5-(4-Bromophenyl)-6-ethylpyrimidine-2,4-diamine
CID 134626
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
AS1269574
CID 5332859
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
BW 50-322
CID 134623
N-(4-bromobenzyl)-6-methylpyridin-2-amine
CID 975979
(2-Bromo-4-butyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-ethyl-amine
CID 10666336
2-(Difluoro(phenyl)methyl)-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido(4,5-d)azepin-4-amine
CID 25070577
2-benzyl-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 25070909
2-benzyl-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 25071230
4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine
CID 46228436

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (CID 66298903) is 2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(Cc2ccccc2Br)nc(CC)c1I.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is GKUAFLCEBOPXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrIN3/c1-3-9-19-16-15(18)13(4-2)20-14(21-16)10-11-7-5-6-8-12(11)17/h5-8H,3-4,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 460.16 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66298903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).