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

C11H17IN4 — CID 116649014

IUPAC5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
SMILESCN(CC1CCCN1C)c1ncc(I)cn1
InChIInChI=1S/C11H17IN4/c1-15-5-3-4-10(15)8-16(2)11-13-6-9(12)7-14-11/h6-7,10H,3-5,8H2,1-2H3
InChIKeyHNSWGGRBVXRUIQ-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.61
Rot. Bonds3

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

5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine (PubChem CID 116649014) has the molecular formula C11H17IN4 and a molecular weight of 332.19 g/mol. Its IUPAC name is 5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
PubChem CID116649014
Molecular FormulaC11H17IN4
Molecular Weight332.19 g/mol
Exact Mass332.05
IUPAC Name5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
SMILESCN(CC1CCCN1C)c1ncc(I)cn1
InChIInChI=1S/C11H17IN4/c1-15-5-3-4-10(15)8-16(2)11-13-6-9(12)7-14-11/h6-7,10H,3-5,8H2,1-2H3
InChIKeyHNSWGGRBVXRUIQ-UHFFFAOYSA-N
XLogP1.61
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79312980
5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848913
5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbonitrile
CID 113320651
5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 104531843
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848122
1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
CID 79313458
6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80848516
2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80835728
2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824295
6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80848203
6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 79315133
2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine
CID 80848914

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine (CID 116649014) is 5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine is CN(CC1CCCN1C)c1ncc(I)cn1.
What is the InChIKey of 5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is HNSWGGRBVXRUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4/c1-15-5-3-4-10(15)8-16(2)11-13-6-9(12)7-14-11/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of 5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine?
5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 332.19 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 116649014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).