2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine

C14H22IN3 — CID 107925723

IUPAC2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C2CC2(C)C)nc(C(C)C)c1I
InChIInChI=1S/C14H22IN3/c1-6-16-13-10(15)11(8(2)3)17-12(18-13)9-7-14(9,4)5/h8-9H,6-7H2,1-5H3,(H,16,17,18)
InChIKeyIWFMQIMKZKEKKL-UHFFFAOYSA-N
MW359.26 g/mol
LogP4.15
Rot. Bonds4

About 2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine

2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 107925723) has the molecular formula C14H22IN3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
PubChem CID107925723
Molecular FormulaC14H22IN3
Molecular Weight359.26 g/mol
Exact Mass359.09
IUPAC Name2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C2CC2(C)C)nc(C(C)C)c1I
InChIInChI=1S/C14H22IN3/c1-6-16-13-10(15)11(8(2)3)17-12(18-13)9-7-14(9,4)5/h8-9H,6-7H2,1-5H3,(H,16,17,18)
InChIKeyIWFMQIMKZKEKKL-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.15
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-cycloheptyl-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66301128
2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 103346661
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 79961334
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 116729687
5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 107925754
2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 79089362
N-ethyl-5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
CID 104611750
N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine
CID 66298577
N-ethyl-2-(ethylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66300738
5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine
CID 107925707
5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 66300704
2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 107504360

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine (CID 107925723) is 2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine is CCNc1nc(C2CC2(C)C)nc(C(C)C)c1I.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is IWFMQIMKZKEKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN3/c1-6-16-13-10(15)11(8(2)3)17-12(18-13)9-7-14(9,4)5/h8-9H,6-7H2,1-5H3,(H,16,17,18).
What are the key properties of 2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 359.26 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 107925723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).