5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine

C12H20ClN5 — CID 80789803

IUPAC5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCCN1CCC(CNc2nc(NC)ncc2Cl)C1
InChIInChI=1S/C12H20ClN5/c1-3-18-5-4-9(8-18)6-15-11-10(13)7-16-12(14-2)17-11/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyOLXMDWSUXUMTIJ-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.93
Rot. Bonds5

About 5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine

5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80789803) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
PubChem CID80789803
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCCN1CCC(CNc2nc(NC)ncc2Cl)C1
InChIInChI=1S/C12H20ClN5/c1-3-18-5-4-9(8-18)6-15-11-10(13)7-16-12(14-2)17-11/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyOLXMDWSUXUMTIJ-UHFFFAOYSA-N
XLogP1.93
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80789358
4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80775529
2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80790393
5-chloro-2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 80903527
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine
CID 114600387
5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine
CID 78132691
5-chloro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80848842
2-N,5-dimethyl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80816729
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332422
4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 80850647
5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 135114553
1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one
CID 62938803

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine (CID 80789803) is 5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine is CCN1CCC(CNc2nc(NC)ncc2Cl)C1.
What is the InChIKey of 5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is OLXMDWSUXUMTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-3-18-5-4-9(8-18)6-15-11-10(13)7-16-12(14-2)17-11/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine?
5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 269.78 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80789803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).