5-iodo-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine

C9H13IN4 — CID 107426009

IUPAC5-iodo-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine
SMILESCC1(Nc2ncc(I)cn2)CCNC1
InChIInChI=1S/C9H13IN4/c1-9(2-3-11-6-9)14-8-12-4-7(10)5-13-8/h4-5,11H,2-3,6H2,1H3,(H,12,13,14)
InChIKeyVRMKPWHKOYJMKF-UHFFFAOYSA-N
MW304.14 g/mol
LogP1.25
Rot. Bonds2

About 5-iodo-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine

5-iodo-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine (PubChem CID 107426009) has the molecular formula C9H13IN4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 5-iodo-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine
PubChem CID107426009
Molecular FormulaC9H13IN4
Molecular Weight304.14 g/mol
Exact Mass304.02
IUPAC Name5-iodo-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine
SMILESCC1(Nc2ncc(I)cn2)CCNC1
InChIInChI=1S/C9H13IN4/c1-9(2-3-11-6-9)14-8-12-4-7(10)5-13-8/h4-5,11H,2-3,6H2,1H3,(H,12,13,14)
InChIKeyVRMKPWHKOYJMKF-UHFFFAOYSA-N
XLogP1.25
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 107425446
5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine
CID 130870013
N-(3-methylpyrrolidin-3-yl)pyridin-2-amine
CID 107425698
5-bromo-3-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine
CID 107425693
4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 107425678
3-bromo-5-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine
CID 107425615
4-methoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 107425506
6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine
CID 107426019
2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 107425646
6-methoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine
CID 107425331
4-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
CID 107425466
3-methyl-N-(3-methylpyrrolidin-3-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
CID 114203313

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine (CID 107426009) is 5-iodo-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine is CC1(Nc2ncc(I)cn2)CCNC1.
What is the InChIKey of 5-iodo-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine?
The InChIKey is VRMKPWHKOYJMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4/c1-9(2-3-11-6-9)14-8-12-4-7(10)5-13-8/h4-5,11H,2-3,6H2,1H3,(H,12,13,14).
What are the key properties of 5-iodo-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine?
5-iodo-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine has a molecular weight of 304.14 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 107426009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).