4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine

C13H23N5 — CID 80777082

IUPAC4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCN1CCCC1CNc1ncnc(NC)c1C
InChIInChI=1S/C13H23N5/c1-4-18-7-5-6-11(18)8-15-13-10(2)12(14-3)16-9-17-13/h9,11H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyHMWQKNDFXXNEDG-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.72
Rot. Bonds5

About 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80777082) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80777082
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCN1CCCC1CNc1ncnc(NC)c1C
InChIInChI=1S/C13H23N5/c1-4-18-7-5-6-11(18)8-15-13-10(2)12(14-3)16-9-17-13/h9,11H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyHMWQKNDFXXNEDG-UHFFFAOYSA-N
XLogP1.72
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80944201
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46280325
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80783503
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135100956
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80777612
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
CID 66325160
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80777288
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324409
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80944062
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine
CID 43081483

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80777082) is 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine is CCN1CCCC1CNc1ncnc(NC)c1C.
What is the InChIKey of 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is HMWQKNDFXXNEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-18-7-5-6-11(18)8-15-13-10(2)12(14-3)16-9-17-13/h9,11H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80777082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).