5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]pyrimidin-2-amine

C14H25N5 — CID 56717353

IUPAC5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]pyrimidin-2-amine
SMILESCN(CCN1CCCCCC1)Cc1cnc(N)nc1
InChIInChI=1S/C14H25N5/c1-18(12-13-10-16-14(15)17-11-13)8-9-19-6-4-2-3-5-7-19/h10-11H,2-9,12H2,1H3,(H2,15,16,17)
InChIKeyLELNCNNJFDOICR-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.37
Rot. Bonds5

About 5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]pyrimidin-2-amine

5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]pyrimidin-2-amine (PubChem CID 56717353) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]pyrimidin-2-amine
PubChem CID56717353
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]pyrimidin-2-amine
SMILESCN(CCN1CCCCCC1)Cc1cnc(N)nc1
InChIInChI=1S/C14H25N5/c1-18(12-13-10-16-14(15)17-11-13)8-9-19-6-4-2-3-5-7-19/h10-11H,2-9,12H2,1H3,(H2,15,16,17)
InChIKeyLELNCNNJFDOICR-UHFFFAOYSA-N
XLogP1.37
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]pyrimidin-2-amine (CID 56717353) is 5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]pyrimidin-2-amine is CN(CCN1CCCCCC1)Cc1cnc(N)nc1.
What is the InChIKey of 5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]pyrimidin-2-amine?
The InChIKey is LELNCNNJFDOICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-18(12-13-10-16-14(15)17-11-13)8-9-19-6-4-2-3-5-7-19/h10-11H,2-9,12H2,1H3,(H2,15,16,17).
What are the key properties of 5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]pyrimidin-2-amine?
5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]pyrimidin-2-amine has a molecular weight of 263.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 56717353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).