5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

C11H17IN4 — CID 66319979

IUPAC5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
SMILESCN(CCN1CCCC1)c1ncncc1I
InChIInChI=1S/C11H17IN4/c1-15(6-7-16-4-2-3-5-16)11-10(12)8-13-9-14-11/h8-9H,2-7H2,1H3
InChIKeyYUQCHIDWGHGETC-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.61
Rot. Bonds4

About 5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine (PubChem CID 66319979) has the molecular formula C11H17IN4 and a molecular weight of 332.19 g/mol. Its IUPAC name is 5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
PubChem CID66319979
Molecular FormulaC11H17IN4
Molecular Weight332.19 g/mol
Exact Mass332.05
IUPAC Name5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
SMILESCN(CCN1CCCC1)c1ncncc1I
InChIInChI=1S/C11H17IN4/c1-15(6-7-16-4-2-3-5-16)11-10(12)8-13-9-14-11/h8-9H,2-7H2,1H3
InChIKeyYUQCHIDWGHGETC-UHFFFAOYSA-N
XLogP1.61
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 49856640
5-fluoro-N-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 5302486
4-N-butyl-5-iodopyrimidine-2,4-diamine
CID 135271026
2-Pyrimidinamine, N-(1-methyl-2-pyrrolidinylidene)-
CID 9588637
2-Pyrimidinamine, N-(1-ethyl-2-pyrrolidinylidene)-
CID 9588638
2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)-
CID 9588639
2-Chloro-5-fluoro-4-(pyrrolidin-1-yl)pyrimidine
CID 16762742
5-Bromo-2-chloro-4-(pyrrolidin-1-yl)pyrimidine
CID 44558540
5-Iodopyrimidine-2,4-diamine
CID 16110335
4-(1-Pyrrolidinyl)pyrimidine
CID 21855852
5-iodo-N,N-dimethylpyrimidin-2-amine
CID 25148249
N2,N2,N4,N4,5-Pentamethyl-2,4-pyrimidinediamine
CID 58324899

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine (CID 66319979) is 5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine is CN(CCN1CCCC1)c1ncncc1I.
What is the InChIKey of 5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The InChIKey is YUQCHIDWGHGETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4/c1-15(6-7-16-4-2-3-5-16)11-10(12)8-13-9-14-11/h8-9H,2-7H2,1H3.
What are the key properties of 5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine has a molecular weight of 332.19 g/mol, XLogP of 1.61, 4 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-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 66319979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).