1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine

C10H15IN4 — CID 116648585

IUPAC1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2ncc(I)cn2)C1
InChIInChI=1S/C10H15IN4/c1-12-4-8-2-3-15(7-8)10-13-5-9(11)6-14-10/h5-6,8,12H,2-4,7H2,1H3
InChIKeyZRIGVEOEEAOZNV-UHFFFAOYSA-N
MW318.16 g/mol
LogP1.13
Rot. Bonds3

About 1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine

1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 116648585) has the molecular formula C10H15IN4 and a molecular weight of 318.16 g/mol. Its IUPAC name is 1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID116648585
Molecular FormulaC10H15IN4
Molecular Weight318.16 g/mol
Exact Mass318.03
IUPAC Name1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2ncc(I)cn2)C1
InChIInChI=1S/C10H15IN4/c1-12-4-8-2-3-15(7-8)10-13-5-9(11)6-14-10/h5-6,8,12H,2-4,7H2,1H3
InChIKeyZRIGVEOEEAOZNV-UHFFFAOYSA-N
XLogP1.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.13
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

1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63873022
2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine
CID 104844112
1-[1-(5-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 116976804
2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
CID 116648613
N-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 116649438
1-[1-(5-bromo-4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 106998129
N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine
CID 116976203
N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 169170213
2-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814374
1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 156651528
(3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol
CID 104843548
1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine
CID 116648605

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine (CID 116648585) is 1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(c2ncc(I)cn2)C1.
What is the InChIKey of 1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is ZRIGVEOEEAOZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4/c1-12-4-8-2-3-15(7-8)10-13-5-9(11)6-14-10/h5-6,8,12H,2-4,7H2,1H3.
What are the key properties of 1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 318.16 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 116648585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).