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

C15H27N5 — CID 80848598

IUPAC6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)CC2CCCN2CC)nc(C)n1
InChIInChI=1S/C15H27N5/c1-5-16-14-10-15(18-12(3)17-14)19(4)11-13-8-7-9-20(13)6-2/h10,13H,5-9,11H2,1-4H3,(H,16,17,18)
InChIKeyUZXYNQJJLVCYKY-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.14
Rot. Bonds6

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

6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 80848598) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID80848598
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)CC2CCCN2CC)nc(C)n1
InChIInChI=1S/C15H27N5/c1-5-16-14-10-15(18-12(3)17-14)19(4)11-13-8-7-9-20(13)6-2/h10,13H,5-9,11H2,1-4H3,(H,16,17,18)
InChIKeyUZXYNQJJLVCYKY-UHFFFAOYSA-N
XLogP2.14
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-cyclopropyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80959228
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
CID 80849077
6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80836014
2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
CID 115498520
6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 104924609
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 107380506
6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80651922
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 79315343
5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80847973
[6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
CID 79319929
6-ethyl-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 133460649
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83185525

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine (CID 80848598) is 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine is CCNc1cc(N(C)CC2CCCN2CC)nc(C)n1.
What is the InChIKey of 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is UZXYNQJJLVCYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-16-14-10-15(18-12(3)17-14)19(4)11-13-8-7-9-20(13)6-2/h10,13H,5-9,11H2,1-4H3,(H,16,17,18).
What are the key properties of 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80848598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).