5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine

C10H15IN4 — CID 104973134

IUPAC5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
SMILESIc1cncnc1NCC[C@H]1CCCN1
InChIInChI=1S/C10H15IN4/c11-9-6-12-7-15-10(9)14-5-3-8-2-1-4-13-8/h6-8,13H,1-5H2,(H,12,14,15)/t8-/m1/s1
InChIKeyUXEXNHJWPHNSMV-MRVPVSSYSA-N
MW318.16 g/mol
LogP1.64
Rot. Bonds4

About 5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine

5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine (PubChem CID 104973134) has the molecular formula C10H15IN4 and a molecular weight of 318.16 g/mol. Its IUPAC name is 5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
PubChem CID104973134
Molecular FormulaC10H15IN4
Molecular Weight318.16 g/mol
Exact Mass318.03
IUPAC Name5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
SMILESIc1cncnc1NCC[C@H]1CCCN1
InChIInChI=1S/C10H15IN4/c11-9-6-12-7-15-10(9)14-5-3-8-2-1-4-13-8/h6-8,13H,1-5H2,(H,12,14,15)/t8-/m1/s1
InChIKeyUXEXNHJWPHNSMV-MRVPVSSYSA-N
XLogP1.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973149
5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
CID 136879289
3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973107
N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine
CID 65418018
5-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973513
5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973111
3-bromo-5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 105367436
3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine
CID 105367435
5-iodo-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66340148
3-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973363
5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one
CID 137012703
5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794411

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine (CID 104973134) is 5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine is Ic1cncnc1NCC[C@H]1CCCN1.
What is the InChIKey of 5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine?
The InChIKey is UXEXNHJWPHNSMV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15IN4/c11-9-6-12-7-15-10(9)14-5-3-8-2-1-4-13-8/h6-8,13H,1-5H2,(H,12,14,15)/t8-/m1/s1.
What are the key properties of 5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine?
5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine has a molecular weight of 318.16 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 104973134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).