2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine

C11H16IN3O — CID 116729350

IUPAC2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(OC)C2CC2)nc(C)c1I
InChIInChI=1S/C11H16IN3O/c1-6-8(12)10(13-2)15-11(14-6)9(16-3)7-4-5-7/h7,9H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyRASCICWTMADGTD-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.53
Rot. Bonds4

About 2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine

2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine (PubChem CID 116729350) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
PubChem CID116729350
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(OC)C2CC2)nc(C)c1I
InChIInChI=1S/C11H16IN3O/c1-6-8(12)10(13-2)15-11(14-6)9(16-3)7-4-5-7/h7,9H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyRASCICWTMADGTD-UHFFFAOYSA-N
XLogP2.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116776477
5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 116729630
5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine
CID 116729353
6-tert-butyl-2-[cyclopropyl(methoxy)methyl]-N-ethyl-5-iodopyrimidin-4-amine
CID 116729525
2-[cyclohexyl(methoxy)methyl]-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 116776346
1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116731318
2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 116776109
3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine
CID 116730884
6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine
CID 116730168
2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728949
2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116703517
N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 116731176

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine (CID 116729350) is 2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine is CNc1nc(C(OC)C2CC2)nc(C)c1I.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine?
The InChIKey is RASCICWTMADGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c1-6-8(12)10(13-2)15-11(14-6)9(16-3)7-4-5-7/h7,9H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine?
2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine has a molecular weight of 333.17 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 116729350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).