5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

C10H15IN4 — CID 106618723

IUPAC5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESCN(CC1CCCN1)c1ncc(I)cn1
InChIInChI=1S/C10H15IN4/c1-15(7-9-3-2-4-12-9)10-13-5-8(11)6-14-10/h5-6,9,12H,2-4,7H2,1H3
InChIKeyIORWEUOSOISOIX-UHFFFAOYSA-N
MW318.16 g/mol
LogP1.27
Rot. Bonds3

About 5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 106618723) has the molecular formula C10H15IN4 and a molecular weight of 318.16 g/mol. Its IUPAC name is 5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
PubChem CID106618723
Molecular FormulaC10H15IN4
Molecular Weight318.16 g/mol
Exact Mass318.03
IUPAC Name5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESCN(CC1CCCN1)c1ncc(I)cn1
InChIInChI=1S/C10H15IN4/c1-15(7-9-3-2-4-12-9)10-13-5-8(11)6-14-10/h5-6,9,12H,2-4,7H2,1H3
InChIKeyIORWEUOSOISOIX-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
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-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641981
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
N-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116977565
N,4,6-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641961
5-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 71641969
5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine
CID 97164291
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-3-amine
CID 10750245
5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 116649014
4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine
CID 97164172
N-methyl-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106618496
N-methyl-5-propyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 116978106
N-methyl-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71642016

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (CID 106618723) is 5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is CN(CC1CCCN1)c1ncc(I)cn1.
What is the InChIKey of 5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is IORWEUOSOISOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4/c1-15(7-9-3-2-4-12-9)10-13-5-8(11)6-14-10/h5-6,9,12H,2-4,7H2,1H3.
What are the key properties of 5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 318.16 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 106618723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).