6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine

C13H18IN3 — CID 107925746

IUPAC6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(C2CC2(C)C)nc(C2CC2)c1I
InChIInChI=1S/C13H18IN3/c1-13(2)6-8(13)11-16-10(7-4-5-7)9(14)12(15-3)17-11/h7-8H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyOZHITXUABDQQTJ-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.51
Rot. Bonds3

About 6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine

6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 107925746) has the molecular formula C13H18IN3 and a molecular weight of 343.21 g/mol. Its IUPAC name is 6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine
PubChem CID107925746
Molecular FormulaC13H18IN3
Molecular Weight343.21 g/mol
Exact Mass343.05
IUPAC Name6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(C2CC2(C)C)nc(C2CC2)c1I
InChIInChI=1S/C13H18IN3/c1-13(2)6-8(13)11-16-10(7-4-5-7)9(14)12(15-3)17-11/h7-8H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyOZHITXUABDQQTJ-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.51
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

6-cyclopropyl-5-iodo-N-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 66303801
6-cyclopropyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 103346677
6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388664
6-cyclopropyl-2-(1,4-dimethylpiperazin-2-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 79666719
6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66301958
6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 79196796
6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66302773
6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 66302167
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 79096576
6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66301547
2-(cyclohexylsulfanylmethyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 66302987
5-iodo-N-methyl-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 66300334

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine (CID 107925746) is 6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine is CNc1nc(C2CC2(C)C)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is OZHITXUABDQQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN3/c1-13(2)6-8(13)11-16-10(7-4-5-7)9(14)12(15-3)17-11/h7-8H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of 6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine?
6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 343.21 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 107925746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).