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

C13H24N6 — CID 80849077

IUPAC4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
SMILESCCN1CCCC1CN(C)c1cc(NC)nc(N)n1
InChIInChI=1S/C13H24N6/c1-4-19-7-5-6-10(19)9-18(3)12-8-11(15-2)16-13(14)17-12/h8,10H,4-7,9H2,1-3H3,(H3,14,15,16,17)
InChIKeyWBHCBOLWHRRHCB-UHFFFAOYSA-N
MW264.38 g/mol
LogP1.02
Rot. Bonds5

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

4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine (PubChem CID 80849077) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
PubChem CID80849077
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
SMILESCCN1CCCC1CN(C)c1cc(NC)nc(N)n1
InChIInChI=1S/C13H24N6/c1-4-19-7-5-6-10(19)9-18(3)12-8-11(15-2)16-13(14)17-12/h8,10H,4-7,9H2,1-3H3,(H3,14,15,16,17)
InChIKeyWBHCBOLWHRRHCB-UHFFFAOYSA-N
XLogP1.02
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80959228
6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80848598
6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 104924609
6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80651922
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 107380506
2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
CID 115498520
4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848121
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 79315343
4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80825415
4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 114926731
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine
CID 79303922
4-N-(cyclohexylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80799499

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine (CID 80849077) is 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine is CCN1CCCC1CN(C)c1cc(NC)nc(N)n1.
What is the InChIKey of 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine?
The InChIKey is WBHCBOLWHRRHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-4-19-7-5-6-10(19)9-18(3)12-8-11(15-2)16-13(14)17-12/h8,10H,4-7,9H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine?
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine has a molecular weight of 264.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80849077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).