5-iodo-N-[(1-methylsulfinylcyclopropyl)methyl]pyrimidin-2-amine

C9H12IN3OS — CID 130948465

IUPAC5-iodo-N-[(1-methylsulfinylcyclopropyl)methyl]pyrimidin-2-amine
SMILESCS(=O)C1(CNc2ncc(I)cn2)CC1
InChIInChI=1S/C9H12IN3OS/c1-15(14)9(2-3-9)6-13-8-11-4-7(10)5-12-8/h4-5H,2-3,6H2,1H3,(H,11,12,13)
InChIKeyIHIFZXDDCARWSQ-UHFFFAOYSA-N
MW337.19 g/mol
LogP1.40
Rot. Bonds4

About 5-iodo-N-[(1-methylsulfinylcyclopropyl)methyl]pyrimidin-2-amine

5-iodo-N-[(1-methylsulfinylcyclopropyl)methyl]pyrimidin-2-amine (PubChem CID 130948465) has the molecular formula C9H12IN3OS and a molecular weight of 337.19 g/mol. Its IUPAC name is 5-iodo-N-[(1-methylsulfinylcyclopropyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-[(1-methylsulfinylcyclopropyl)methyl]pyrimidin-2-amine
PubChem CID130948465
Molecular FormulaC9H12IN3OS
Molecular Weight337.19 g/mol
Exact Mass336.97
IUPAC Name5-iodo-N-[(1-methylsulfinylcyclopropyl)methyl]pyrimidin-2-amine
SMILESCS(=O)C1(CNc2ncc(I)cn2)CC1
InChIInChI=1S/C9H12IN3OS/c1-15(14)9(2-3-9)6-13-8-11-4-7(10)5-12-8/h4-5H,2-3,6H2,1H3,(H,11,12,13)
InChIKeyIHIFZXDDCARWSQ-UHFFFAOYSA-N
XLogP1.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 51.40
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

N-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine
CID 104844190
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine
CID 104840347
N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine
CID 115620662
N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine
CID 104840124
5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
CID 104843854
2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide
CID 104839937
5-iodo-N-(3-methylbutyl)pyrimidin-2-amine
CID 115620521
5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine
CID 102907842
[1-[(5-iodopyrimidin-2-yl)amino]cyclobutyl]methanol
CID 104844168
5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine
CID 114757745
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 115620538
N-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide
CID 104839942

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(1-methylsulfinylcyclopropyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-[(1-methylsulfinylcyclopropyl)methyl]pyrimidin-2-amine (CID 130948465) is 5-iodo-N-[(1-methylsulfinylcyclopropyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-[(1-methylsulfinylcyclopropyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-[(1-methylsulfinylcyclopropyl)methyl]pyrimidin-2-amine is CS(=O)C1(CNc2ncc(I)cn2)CC1.
What is the InChIKey of 5-iodo-N-[(1-methylsulfinylcyclopropyl)methyl]pyrimidin-2-amine?
The InChIKey is IHIFZXDDCARWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3OS/c1-15(14)9(2-3-9)6-13-8-11-4-7(10)5-12-8/h4-5H,2-3,6H2,1H3,(H,11,12,13).
What are the key properties of 5-iodo-N-[(1-methylsulfinylcyclopropyl)methyl]pyrimidin-2-amine?
5-iodo-N-[(1-methylsulfinylcyclopropyl)methyl]pyrimidin-2-amine has a molecular weight of 337.19 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(1-methylsulfinylcyclopropyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 130948465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).