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

C16H29N5 — CID 80836014

IUPAC6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(C)CC2CCCN2CC)c1C
InChIInChI=1S/C16H29N5/c1-6-17-15-12(3)16(19-13(4)18-15)20(5)11-14-9-8-10-21(14)7-2/h14H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyFGTWQOSSFRFFKH-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.45
Rot. Bonds6

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

6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80836014) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID80836014
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(C)CC2CCCN2CC)c1C
InChIInChI=1S/C16H29N5/c1-6-17-15-12(3)16(19-13(4)18-15)20(5)11-14-9-8-10-21(14)7-2/h14H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyFGTWQOSSFRFFKH-UHFFFAOYSA-N
XLogP2.45
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848595
6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80848598
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80824999
5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80847973
6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80846682
6-N-ethyl-4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848832
4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80793711
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 105420985
4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine
CID 79315342
6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 79314849
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83185525
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 107380506

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine (CID 80836014) is 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine is CCNc1nc(C)nc(N(C)CC2CCCN2CC)c1C.
What is the InChIKey of 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is FGTWQOSSFRFFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-6-17-15-12(3)16(19-13(4)18-15)20(5)11-14-9-8-10-21(14)7-2/h14H,6-11H2,1-5H3,(H,17,18,19).
What are the key properties of 6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.45, 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,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80836014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).