N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine

C12H20IN3 — CID 66299485

IUPACN,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(CC(C)C)nc(CC)c1I
InChIInChI=1S/C12H20IN3/c1-5-9-11(13)12(14-6-2)16-10(15-9)7-8(3)4/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyGGUCSEPZUAXMPD-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.27
Rot. Bonds5

About N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine

N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 66299485) has the molecular formula C12H20IN3 and a molecular weight of 333.22 g/mol. Its IUPAC name is N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine
PubChem CID66299485
Molecular FormulaC12H20IN3
Molecular Weight333.22 g/mol
Exact Mass333.07
IUPAC NameN,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(CC(C)C)nc(CC)c1I
InChIInChI=1S/C12H20IN3/c1-5-9-11(13)12(14-6-2)16-10(15-9)7-8(3)4/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyGGUCSEPZUAXMPD-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.27
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-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299095
N,6-diethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66298311
N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine
CID 66298694
N-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine
CID 102928949
2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 103150418
2-[(4-chlorophenyl)methyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66300863
N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66301056
N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 66299480
5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine
CID 66300310
2-[(2-chloro-4-fluorophenyl)methyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299683
N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine
CID 66307186
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine (CID 66299485) is N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine is CCNc1nc(CC(C)C)nc(CC)c1I.
What is the InChIKey of N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is GGUCSEPZUAXMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN3/c1-5-9-11(13)12(14-6-2)16-10(15-9)7-8(3)4/h8H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine?
N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 333.22 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 66299485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).